SCHEMBL12417

SCHEMBL12417

Cc1cc2ccccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP2A6 P11509 4/20 0.48
ADRB2 P07550 1/20 0.48
ASIC3 Q9UHC3 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
MGLL Q99685 1/20 0.48
BCL2L1 Q07817 1/20 0.47
CA2 P00918 2/20 0.45
APP P05067 2/20 0.44
AGXT P21549 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ammonia Solution, Strong SCHEMBL28821949 0.98 CYP2A6 (0.52) ALDH1A1CYP2A6ADRB2ASIC3LOXL2
Hydrogen Sulfide SCHEMBL28032128 0.98 ALDH1A1 (0.50) ALDH1A1CYP2A6ADRB2ASIC3LOXL2
Acetic Acid SCHEMBL27841402 0.88 BCL2L1 (0.56) ALDH1A1CYP2A6MGLLBCL2L1CA2
Formic Acid SCHEMBL27867550 0.88 CYP2A6 (0.53) ALDH1A1CYP2A6ADRB2ASIC3LOXL2
SCHEMBL6248129 0.86 CYP2A6 (0.63) ALDH1A1CYP2A6ADRB2ASIC3LOXL2
Maleic Anhydride SCHEMBL6839581 0.83 ALDH1A1 (0.47) ALDH1A1CYP2A6ADRB2ASIC3LOXL2
SCHEMBL10045599 0.81 ALDH1A1 (0.44) ALDH1A1CYP2A6ADRB2ASIC3LOXL2
SCHEMBL22591672 0.79 ALDH1A1 (0.42) ALDH1A1CYP2A6ADRB2ASIC3LOXL2
SCHEMBL13541760 0.74 PIK3CA (0.46) ALDH1A1
SCHEMBL29732980 0.74 APP (0.63) CYP2A6ADRB2ASIC3LOXL2MGLL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 3649 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206686-A1 METHODS TO SEPARATE MOLECULES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2025-06-26 US claimed
US-12313553-B2 Materials and methods for surface-enhanced Raman scattering (SERS) based detection of dibenzothiophene in fuel oils KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2025-05-27 US claimed
CN-119165154-A Multicolor immune marking method based on Raman spectrum technology 瑄立(无锡)智能科技有限公司 2024-12-20 CN claimed
CN-118632933-A Screening method for substance inhibiting odor of 4-methylacetophenone and method for inhibiting odor of 4-methylacetophenone 味之素株式会社 2024-09-10 CN claimed
US-20240255430-A1 MATERIALS AND METHODS FOR SURFACE-ENHANCED RAMAN SCATTERING (SERS) BASED DETECTION Of DIBENZOTHIOPHENE IN FUEL OILS KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2024-08-01 US claimed
CN-117263958-A Fluorescent probe based on camphor derivative and preparation method and application thereof 江苏食品药品职业技术学院 2023-12-22 CN claimed
WO-2023225661-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-23 WO claimed
CN-110314643-B Preparation and application of monovalent copper modified mesoporous oxide material with high stability 南京工业大学 2023-10-31 CN claimed
CN-116622127-A Thienyl ionic liquid modified graphene heat-conducting filler and heat-conducting composite material based on same 安徽大学 2023-08-22 CN claimed
CN-112844305-B Preparation method and application method of monovalent copper loaded molecular sieve adsorbent 南京工业大学 2023-04-28 CN claimed
EP-0371467-A2 Beta-amino boron acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-06 EP claimed
EP-0354522-A1 Use of alpha-aminoboronic acid derivatives in prevention and treatement of viral diseases HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-14 EP claimed
EP-0315574-A2 Renin inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-10 EP claimed
US-4762921-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1988-08-09 US claimed
EP-0252713-A1 Indolinone derivatives PFIZER INC. (US) 1988-01-13 EP claimed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 US claimed
US-4654350-A Gaba-agonistic imidazo(4,5-c)pyridines useful as pharmaceuticals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-03-31 US claimed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 EP claimed
EP-0082369-B1 IMIDAZO (4,5-C) PYRIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION MERCK PATENT GmbH (DE) 1986-04-09 EP claimed
EP-0082369-A1 Imidazo (4,5-c) pyridines, pharmaceutical compositions containing them and process for their preparation MERCK PATENT GmbH (DE) 1983-06-29 EP claimed