SCHEMBL4124

SCHEMBL4124

FC(F)(F)c1cc[c]cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
KIF11 P52732 6/20 0.42
TRPV6 Q9H1D0 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 1/20 0.40
MGLL Q99685 1/20 0.40
TAAR1 Q96RJ0 1/20 0.37
EPHX2 P34913 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
PLAU P00749 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL28220885 0.97 ALDH1A1 (0.48) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL27633858 0.97 ALDH1A1 (0.48) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL28220310 0.97 ALDH1A1 (0.48) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL11780153 0.97 ALDH1A1 (0.48) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL28818315 0.97 ALDH1A1 (0.48) ALDH1A1TSHRKIF11TRPV6CES2
Magnesium Chloride Anhydrous SCHEMBL28021018 0.89 ALDH1A1 (0.42) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL28811432 0.89 ALDH1A1 (0.42) ALDH1A1TSHRKIF11TRPV6CES2
Aluminum Chloride Anhydrous SCHEMBL28894096 0.89 ALDH1A1 (0.42) ALDH1A1TSHRKIF11TRPV6CES2
SCHEMBL146915 0.84 KIF11 (0.58) ALDH1A1TSHRKIF11
SCHEMBL28164114 0.82 PDE2A (0.38) ALDH1A1TSHRKIF11CES2CES1

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 46293 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US claimed
US-20240239821-A1 N-ACYL FOSMIDOMYCIN PRODRUG ANALOGS AS NOVEL ANTIINFECTIVE AGENTS THE GEORGE WASHINGTON UNIVERSITY 2024-07-18 US claimed
US-20240239755-A1 SUBSTITUTED PYRIDAZINONES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-07-18 US claimed
CN-118344265-A Amide compound and preparation method and application thereof 河北大学 2024-07-16 CN claimed
CN-118355091-A Boron-containing cyclic light-emitting compound and color conversion film containing same 日东电工株式会社 2024-07-16 CN claimed
CN-118344340-A Quinolinone compound containing 1,2, 4-triazole or 1,3, 4-oxadiazole structure and preparation and application thereof 贵州大学 2024-07-16 CN claimed
CN-118344355-A Quinazolinone derivative, preparation method thereof and application thereof in anti-inflammatory and anti-tumor 贵州省天然产物研究中心 2024-07-16 CN claimed
CN-111433231-B Method for producing styrene resin and styrene resin molded body 出光兴产株式会社 2024-07-16 CN claimed
CN-118344268-A Synthesis method of N-alkyl sulfonamide 四川轻化工大学 2024-07-16 CN claimed
US-12037329-B2 SphK inhibitors and methods of making and using same WASHINGTON UNIVERSITY (US) 2024-07-16 US claimed
US-3948898-A HYPOTENSIVES, SEDATIVES, ANTIARRHYTHMICS, BRADYCARDIACS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-06 US claimed
US-3947447-A CENTRAL NERVOUS SYSTEM DEPRESSANT, ANTICONVULSANT, MUSCLE RELAXANT, HYPOTENSIVE AMERICAN HOECHST CORPORATION (US) 1976-03-30 US claimed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 US claimed
US-3939192-A INSECTICIDE, MITICIDE, FUNGICIDE, BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US claimed
US-3936471-A HYPOGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-03 US claimed
US-3935218-A Imidazolinyl phenyl carbonyl compounds acid addition salts and related compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-27 US claimed
US-3935229-A ANALGESIC, ANTIINFLAMMATORY SYNTHELABO (FR) 1976-01-27 US claimed
US-3931218-A HYPOGLYCEMIC ANTIRESERPINE, ANTIULCER, OGENIC, ANTIARRHYTHMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-06 US claimed
US-3931152-A ANTITUBERCULAR AMERICAN CYANAMID COMPANY (US) 1976-01-06 US claimed
US-3931155-A ANTICOAGULANT RICHARDSON-MERRELL INC. (US) 1976-01-06 US claimed