SCHEMBL40516

SCHEMBL40516

c1ccc(C(c2ccccc2)c2cccc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
SLC6A4 P31645 1/20 0.51
ACP3 P15309 3/20 0.42
CYP2A6 P11509 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
CYP3A4 P08684 1/20 0.39
KEAP1 Q14145 1/20 0.39

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
SCHEMBL5012390 0.95 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL23527420 0.88 SLC6A4 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL2494544 0.85 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL13295547 0.84 NR3C1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL31409233 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL31409241 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL333444 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL29368878 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL11043032 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL24276337 0.82 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4

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 4861 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3649135-B1 SYNTHESIS OF HALICHONDRINS HARVARD COLLEGE (US) 2022-12-28 EP claimed
US-20220380845-A1 Asymmetric Rhodamine Dye and Use Thereof in Biological Assays Life Technologies Corporation 2022-12-01 US claimed
US-20220056041-A1 Modified Rhodamine Dye and use Thereof in Biological Assays Life Technologies Corporation 2022-02-24 US claimed
US-11241435-B2 Uses of salt-inducible kinase (SIK) inhibitors for treating osteoporosis THE GENERAL HOSPITAL CORPORATION (US) 2022-02-08 US claimed
CN-113614182-A Modified rhodamine dyes and their use in bioassays 生命技术公司 2021-11-05 CN claimed
EP-3898841-A1 ASYMMETRIC RHODAMINE DYE AND USE THEREOF IN BIOLOGICAL ASSAYS Life Technologies Corporation (US) 2021-10-27 EP claimed
EP-3898842-A1 MODIFIED RHODAMINE DYE AND USE THEREOF IN BIOLOGICAL ASSAYS Life Technologies Corporation (US) 2021-10-27 EP claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
US-5552471-A Solid support reagents for the synthesis of 3'-Nitrogen containing polynucleotides THE PERKIN-ELMER CORPORATION (US) 1996-09-03 US claimed
WO-1996007669-A1 COMPOSITIONS FOR ENZYME CATALYZED TEMPLATE-INDEPENDENT CREATION OF PHOSPHODIESTER BONDS USING PROTECTED NUCLEOTIDES ROSE-HIATT BIOTECHNOLOGY PARTNERSHIP (US) 1996-03-14 WO claimed
WO-1996005215-A1 SOLID SUPPORT REAGENTS FOR THE SYNTHESIS OF 3'-NITROGEN CONTAINING POLYNUCLEOTIDES THE PERKIN ELMER CORPORATION (US) 1996-02-22 WO claimed
US-5478928-A Useful as antiviral agents in the treatment and prevention of AIDS SOUTHERN RESEARCH INSTITUTE (US) 1995-12-26 US claimed
WO-1995011685-A1 2',3'-DIDEOXY-4'-THIORIBONUCLEOSIDES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1995-05-04 WO claimed
EP-0621963-A1 VISIBLE AND ULTRAVIOLET IRRADIATION PHOTOSENSITIVE SYSTEM FOR FILM-FORMING PIGMENTED PHOTO-CROSSLINKABLE COMPOSITIONS CELLIOSE (FR) 1994-11-02 EP claimed
WO-1993015440-A1 VISIBLE AND ULTRAVIOLET IRRADIATION PHOTOSENSITIVE SYSTEM FOR FILM-FORMING PIGMENTED PHOTO-CROSSLINKABLE COMPOSITIONS CELLIOSE (FR) 1993-08-05 WO claimed
US-5189027-A Hypotensive agent, vasoconstriction YAMASA SHOYU KABUSHIKI KAISHA (JP) 1993-02-23 US claimed
US-4813974-A Removal of excess halide ions in aqueous liquid formulations of basic dyestuffs MOBAY CORPORATION (US) 1989-03-21 US claimed
US-4108671-A Dye-based inks with improved vehicles RICHLIN MILTON 1978-08-22 US claimed