SCHEMBL7720372

SCHEMBL7720372

CCc1c(F)ccc2oc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.39
RARB P10826 6/20 0.39
RARG P13631 6/20 0.39
TNKS O95271 1/20 0.39
GSK3B P49841 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
MPL P40238 1/20 0.35
TTR P02766 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
BCL2 P10415 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
ANO1 Q5XXA6 2/20 0.34

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
SCHEMBL7725609 0.85 RARA (0.41) RARARARBRARGTNKSGSK3B
SCHEMBL7730548 0.85 RARA (0.39) RARARARBRARGRXRARXRB
SCHEMBL7616861 0.83 RARA (0.43) RARARARBRARGRXRARXRB
SCHEMBL7730174 0.83 RARA (0.43) RARARARBRARG
SCHEMBL7618529 0.78 RARA (0.43) RARARARBRARGTNKSGSK3B
SCHEMBL7724982 0.78 PTPN11 (0.36) RARARARBRARGMPLTTR
SCHEMBL7618694 0.78 RARA (0.49) RARARARBRARGTTRKDM4E
SCHEMBL7724028 0.77 RARA (0.41) RARARARBRARGRXRARXRB
SCHEMBL7617714 0.76 RARA (0.53) RARARARBRARG
SCHEMBL7730938 0.76 RARA (0.43) RARARARBRARGTNKSGSK3B

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-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-6258811-B1 ADMINISTERING RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2001-07-10 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