SCHEMBL7675170

SCHEMBL7675170

C/C(=C(\F)C=O)c1ccc2c(c1)c(C)c(C)n2C(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.34
MAPT P10636 6/20 0.33
TP53 P04637 1/20 0.33
PPARG P37231 6/20 0.32
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL7668653 0.82 GAA (0.41) GAAKDM4EATMMAPTTP53
SCHEMBL7668646 0.82 GAA (0.41) GAAKDM4EATMMAPTTP53
SCHEMBL7665546 0.79 ALDH1A1 (0.46) GAAKDM4EATMMAPTTP53
SCHEMBL7668526 0.78 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL7668518 0.78 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL14690041 0.72 ALDH1A1 (0.41) GAAKDM4EATMMAPTALDH1A1
SCHEMBL22004308 0.67 RAB9A (0.48) GAAKDM4EATMMAPTALDH1A1
SCHEMBL15134031 0.67 KDM4E (0.39) GAAKDM4EATMMAPTALDH1A1
SCHEMBL4726147 0.65 HPGD (0.55) GAAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL6177729 0.64 RARA (0.44) GAAKDM4EPPARGALDH1A1HPGD

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

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420363-B1 Mono- or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 2002-07-16 US disclosed
US-6291508-B1 POTENT ABILITY TO BIND TO RETINOIC ACID RECEPTORS THUS USEFUL IN TREATING PSORIASIS AND RHEUMATOID ARTHRITIS. EISAI CO., LTD. (JP) 2001-09-18 US disclosed
US-6133283-A Mono- or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 2000-10-17 US disclosed
US-6030964-A BINDS TO RETINOIC ACID RECEPTORS AND USEFUL FOR TREATING PSORIASIS, AUTOIMMUNE DISEASES, TUMORS, RHEUMATOID ARTHRITIS AND FOR INDUCING IMMUNOSUPPRESSION IN ORGAN TRANSPLANTATION EISAI CO., LTD. (JP) 2000-02-29 US disclosed
US-5977125-A Mono-or polyenic carboxylic acid derivatives EISAI CO., LTD. (JP) 1999-11-02 US disclosed
EP-0790228-A1 MONO- OR POLYENIC CARBOXYLIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1997-08-20 EP disclosed