SCHEMBL7720449

SCHEMBL7720449

CCCc1c(F)cc(Cl)c2oc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARA P10276 13/20 0.42
RARB P10826 12/20 0.42
RARG P13631 12/20 0.42
PPARG P37231 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
MPL P40238 1/20 0.37
KDM4E B2RXH2 1/20 0.35
PSMD14 O00487 1/20 0.35
RECQL P46063 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7616861 0.92 RARA (0.43) RARARARBRARGCSNK2A2CSNK2B
SCHEMBL7730548 0.83 RARA (0.39) RARARARBRARGMPL
SCHEMBL7620397 0.82 RARA (0.42) RARARARBRARGPPARGCSNK2A2
SCHEMBL7618381 0.82 RARA (0.53) RARARARBRARGCSNK2A2CSNK2B
SCHEMBL7730174 0.82 RARA (0.43) RARARARBRARG
SCHEMBL7727053 0.82 RARA (0.48) RARARARBRARGPPARGCSNK2A2
SCHEMBL7616809 0.79 RARA (0.60) RARARARBRARGCSNK2A2CSNK2B
SCHEMBL7724982 0.79 PTPN11 (0.36) RARARARBRARGMPLKDM4E
SCHEMBL7619622 0.79 RARA (0.49) RARARARBRARGCSNK2A2CSNK2B
SCHEMBL7621722 0.79 RARA (0.53) RARARARBRARGCSNK2A2CSNK2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358995-B1 AGONIST FOR RETINOIC ACID RECEPTORS; CAN BE SUBSTITUTED FOR RETINOIC ACID AS PREVENTIVE AND THERAPEUTIC DRUGS FOR VARIOUS DISEASES OR CANCERS, SUCH AS ACUTE PROMYELOCYTIC LEUKEMIA. EISAI CO., LTD. (JP) 2002-03-19 US disclosed
US-6121309-A SUCH AS 4-(2-(5-(7-FLUORO-4-TRIFLUOROMETHYLBENZOFURAN-2-YL)PYRROLYL)) BENZOIC ACID; RETINOIC ACID RECEPTOR AGONISM EISAI CO., LTD. (JP) 2000-09-19 US disclosed
US-6110959-A A RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2000-08-29 US disclosed
EP-0930075-A1 METHODS FOR PREVENTING, INHIBITING OR TREATING GRAFT REJECTION REACTIONS IN GRAFT-VERSUS-HOST DISEASE (GVHD) AND ORGAN TRANSPLANTATION Eisai Co., Ltd. (JP) 1999-07-21 EP disclosed
EP-0889032-A1 FUSED-RING CARBOXYLIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1999-01-07 EP disclosed