SCHEMBL7622907

SCHEMBL7622907

COCCc1cccc2cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)oc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.39
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EGFR P00533 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NQO2 P16083 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
SCHEMBL7625628 0.89 RARA (0.40) RARARARBRARGMAPTALDH1A1
SCHEMBL7618653 0.87 RARA (0.42) RARARARBRARGMAPTTP53
SCHEMBL7618729 0.82 MAPT (0.53) HDAC6KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL8218856 0.81 MTNR1A (0.48) RARARARBRARGMTNR1AMTNR1B
SCHEMBL7624863 0.80 MAOB (0.51) RARARARBRARGADORA2AADORA1
SCHEMBL7619634 0.79 MAPT (0.52) RARAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL7628810 0.78 RARA (0.54) RARARARBRARGKDM4EMAPT
SCHEMBL7625464 0.78 RARA (0.44) RARARARBRARGNQO2NPC1
SCHEMBL7618637 0.77 RARA (0.50) RARARARBRARGEGFRADORA2A
SCHEMBL7625576 0.77 RXRA (0.43) RARARARBRARGKDM4EMAPT

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 8 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-6355669-B1 THERAPY FOR KIDNEY DISEASE USING BENZOIC ACID COMPOUND EISAI CO., LTD. (JP) 2002-03-12 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-1025857-A1 RETINOIC ACID AGONISTS AS PREVENTIVE AND THERAPEUTIC AGENTS FOR NEPHRITIS Eisai Co., Ltd. (JP) 2000-08-09 EP 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