SCHEMBL7208519

SCHEMBL7208519

CCC#CCOc1cc2c(cc1/C=C/c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.59
RARG P13631 11/20 0.59
RARA P10276 10/20 0.59
RXRA P19793 13/20 0.50
HNF4A P41235 3/20 0.50
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
CYP26A1 O43174 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 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
SCHEMBL7208528 1.00 RARB (0.59) RARBRARGRARARXRAHNF4A
SCHEMBL6915722 0.87 RARB (0.67) RARBRARGRARARXRAHNF4A
SCHEMBL7207880 0.85 RARB (0.64) RARBRARGRARARXRAHNF4A
SCHEMBL7207884 0.85 RARB (0.64) RARBRARGRARARXRAHNF4A
SCHEMBL6915866 0.85 RARA (0.64) RARBRARGRARARXRAHNF4A
SCHEMBL8905707 0.84 RXRA (0.43) RARBRARGRARARXRAHNF4A
SCHEMBL8905703 0.84 RXRA (0.43) RARBRARGRARARXRAHNF4A
SCHEMBL7124972 0.83 RARA (0.61) RARBRARGRARARXRAHNF4A
SCHEMBL7124980 0.83 RARA (0.61) RARBRARGRARARXRAHNF4A
SCHEMBL6915189 0.82 RARA (0.60) RARBRARGRARARXRAHNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610877-B1 Treating photo and/or age damaged skin HOFFMAN-LA ROCHE INC. 2003-08-26 US claimed
EP-0641759-B1 Use of aromatic carboxylic derivatives for the preparation of drugs HOFFMANN LA ROCHE (CH) 1998-12-09 EP claimed
EP-0641759-A1 Aromatic carboxylic acid derivatives, their preparation and drugs containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-03-08 EP claimed
US-6610877-B1 Treating photo and/or age damaged skin HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
EP-0641759-B1 Use of aromatic carboxylic derivatives for the preparation of drugs HOFFMANN LA ROCHE (CH) 1998-12-09 EP disclosed
EP-0641759-A1 Aromatic carboxylic acid derivatives, their preparation and drugs containing these derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-03-08 EP disclosed