SCHEMBL6674718

SCHEMBL6674718

CCCC/C=C\c1cc2c(cc1C(=O)O)C(C)(C)CCC2(C)C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.45
RXRB P28702 4/20 0.43
RXRG P48443 4/20 0.43
PDE5A O76074 1/20 0.42
RARB P10826 6/20 0.41
RARA P10276 5/20 0.41
RARG P13631 5/20 0.41
HNF4A P41235 2/20 0.41

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
SCHEMBL8459590 1.00 RXRA (0.45) RXRARXRBRXRGPDE5ARARB
SCHEMBL6690730 0.81 RXRA (0.42) RXRARXRBRXRGPDE5ARARB
SCHEMBL4960820 0.79 RXRA (0.52) RXRARXRBRXRGRARBRARA
SCHEMBL4960828 0.79 RXRA (0.52) RXRARXRBRXRGRARBRARA
SCHEMBL8460248 0.78 PDE5A (0.37) RXRARXRBRXRGPDE5ARARB
SCHEMBL6674082 0.78 PDE5A (0.37) RXRARXRBRXRGPDE5ARARB
SCHEMBL8907175 0.74 RXRA (0.42) RXRARXRBRXRGRARBRARA
SCHEMBL28646163 0.73 RXRA (0.59) RXRARXRBRXRGRARBRARA
SCHEMBL6679884 0.72 RXRA (0.64) RXRARXRBRXRGRARBRARA
SCHEMBL27986574 0.72 PDE5A (0.49) PDE5ARARB

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