SCHEMBL7668653

SCHEMBL7668653

CC(=C(F)C(=O)O)c1ccc2c(c1)c(C)c(C)n2C(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 4/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.36
PPARG P37231 9/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL7668646 1.00 GAA (0.41) GAAKDM4EMAPTTP53ATM
SCHEMBL7665546 0.82 ALDH1A1 (0.46) GAAKDM4EMAPTTP53ATM
SCHEMBL7675175 0.82 GAA (0.36) GAAKDM4EMAPTTP53ATM
SCHEMBL7669355 0.79 PPARG (0.39) GAAKDM4EMAPTTP53ATM
SCHEMBL7669359 0.79 PPARG (0.39) GAAKDM4EMAPTTP53ATM
SCHEMBL7662495 0.71 EPHX2 (0.38) PPARG
SCHEMBL6177729 0.69 RARA (0.44) GAAKDM4EPPARG
SCHEMBL4726147 0.68 HPGD (0.55) GAAKDM4EMAPTMEN1KMT2A
SCHEMBL7668649 0.67 RARA (0.39) GAAMAPTMEN1KMT2A
SCHEMBL7668641 0.67 RARA (0.39) GAAMAPTMEN1KMT2A

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