SCHEMBL7942455

SCHEMBL7942455

O=C(O)c1ccc(-c2ccc(-c3ccc4ccccc4c3)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
RARA P10276 2/20 0.52
RARB P10826 1/20 0.52
RARG P13631 1/20 0.52
PTGER3 P43115 3/20 0.49
CTRC Q99895 1/20 0.48
NQO2 P16083 1/20 0.48
ACMSD Q8TDX5 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CA12 O43570 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
CHEK2 O96017 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL29788052 0.83 ACMSD (0.61) RARARARBRARGCTRCACMSD
SCHEMBL2036894 0.83 ACMSD (0.61) RARARARBRARGCTRCACMSD
SCHEMBL7625624 0.82 RARA (0.54) CASP3SENP8SENP7SENP6RARA
SCHEMBL17266914 0.80 RAB9A (0.47) CASP3SENP8SENP7SENP6PTGER3
SCHEMBL7618852 0.80 RARA (0.49) CASP3SENP8SENP7SENP6RARA
SCHEMBL7623111 0.80 RARA (0.60) CASP3SENP8SENP7SENP6RARA
SCHEMBL4431905 0.78 KDM4E (0.69) PTGER3ACMSD
SCHEMBL7617615 0.78 RARA (0.47) CASP3SENP8SENP7SENP6RARA
Beta-Naphtoic Acid SCHEMBL15940407 0.77 CES2 (0.63) RARBRARGCTRCACMSDCES2
SCHEMBL3487237 0.77 KDM5A (0.49) CASP3SENP8SENP7SENP6RARA

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

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