SCHEMBL6672709

SCHEMBL6672709

CCCCCCc1cc2c(cc1C(=O)Oc1ccc(C(=O)OCc3ccccc3)cn1)CCCCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.40
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
OPRM1 P35372 7/20 0.36
OPRD1 P41143 7/20 0.36
OPRK1 P41145 5/20 0.36
PPARG P37231 1/20 0.35
NR1H3 Q13133 1/20 0.35
HNF4A P41235 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 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
SCHEMBL6686555 0.91 RXRA (0.46) RXRACHRNB2CHRNA7CHRNA4PPARG
SCHEMBL6684838 0.91 RXRA (0.46) RXRACHRNB2CHRNA7CHRNA4PPARG
SCHEMBL4958378 0.89 RXRA (0.46) RXRAOPRM1OPRD1OPRK1PPARG
SCHEMBL6685049 0.81 RXRA (0.51) RXRACHRNB2CHRNA7CHRNA4PPARG
SCHEMBL4956986 0.81 RXRA (0.49) RXRAOPRM1OPRD1OPRK1PPARG
SCHEMBL6676520 0.80 RXRA (0.56) RXRAPPARGNR1H3HNF4ARXRB
SCHEMBL6673775 0.79 RXRA (0.57) RXRAPPARGNR1H3HNF4ARXRB
SCHEMBL6674721 0.73 RXRA (0.50) RXRAPPARGHNF4ARXRBRXRG
SCHEMBL4962266 0.70 RXRA (0.49) RXRAOPRM1OPRD1OPRK1PPARG
SCHEMBL9850306 0.69 HIF1A (0.41) RXRAALDH1A1CYP3A4TSHRMAPK1

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
EP-0862554-B1 AROMATIC CARBOXYLIC ACID ESTERS, THE PRODUCTION OF SAME AND USE OF SAME AS MEDICAMENTS HOFFMANN LA ROCHE (CH) 2004-10-20 EP disclosed
US-5958956-A SKIN DISORDERS; WOUND HEALING AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
EP-0862554-A1 AROMATIC CARBOXYLIC ACID ESTERS, THE PRODUCTION OF SAME AND USE OF SAME AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1998-09-09 EP disclosed
US-5726191-A TREATEMENT OF LIGHT AND AGE DAMAGED SKIN HOFFMANN-LA ROCHE INC. (US) 1998-03-10 US disclosed
WO-1997018192-A1 AROMATIC CARBOXYLIC ACID ESTERS, THE PRODUCTION OF SAME AND USE OF SAME AS MEDICAMENTS F. HOFFMANN-LA ROCHE AG (CH) 1997-05-22 WO disclosed