SCHEMBL7625628

SCHEMBL7625628

CCCc1cccc2cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)oc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.40
RARB P10826 8/20 0.39
RARG P13631 2/20 0.39
MPL P40238 2/20 0.37
BCL2 P10415 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 1/20 0.35
NQO2 P16083 1/20 0.35
PDE4A P27815 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RIPK1 Q13546 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MTOR P42345 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL7618653 0.92 RARA (0.42) RARARARBRARGBCL2TP53
SCHEMBL7622907 0.89 RARA (0.39) RARARARBRARGTP53MAPT
SCHEMBL7622975 0.86 MPL (0.40) RARARARBRARGMPLTP53
SCHEMBL7622620 0.86 RARB (0.38) RARARARBRARGMPLTP53
SCHEMBL7625627 0.85 PTGER1 (0.41) RARARARBRARGMPLRXRA
SCHEMBL7625655 0.83 RXRA (0.41) RARARARBRARGMPLMAPT
SCHEMBL7624863 0.83 MAOB (0.51) RARARARBRARGNQO2MEN1
SCHEMBL7619634 0.82 MAPT (0.52) RARATP53MAPTTDP1RXRA
SCHEMBL7620397 0.82 RARA (0.42) RARARARBRARGMPLTDP1
SCHEMBL7727010 0.82 RARA (0.48) RARARARBRARG

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