SCHEMBL7207780

SCHEMBL7207780

CCCCOc1cc2c(cc1/C=C/c1ccc(C(=O)O)cc1)C1(C)CCCC2(C)C1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.48
RARB P10826 3/20 0.48
RARG P13631 3/20 0.48
RXRA P19793 12/20 0.48
HNF4A P41235 3/20 0.43
PTPN11 Q06124 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
PPARG P37231 1/20 0.38
NR1H3 Q13133 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7213506 0.96 RARA (0.44) RARARARBRARGRXRAHNF4A
SCHEMBL6915866 0.87 RARA (0.64) RARARARBRARGRXRAHNF4A
SCHEMBL7124972 0.85 RARA (0.61) RARARARBRARGRXRAHNF4A
SCHEMBL7124980 0.85 RARA (0.61) RARARARBRARGRXRAHNF4A
SCHEMBL6915189 0.84 RARA (0.60) RARARARBRARGRXRAHNF4A
SCHEMBL7212191 0.83 RXRA (0.41) RARARARBRARGRXRAHNF4A
SCHEMBL7207880 0.83 RARB (0.64) RARARARBRARGRXRAHNF4A
SCHEMBL7207884 0.83 RARB (0.64) RARARARBRARGRXRAHNF4A
SCHEMBL6915722 0.78 RARB (0.67) RARARARBRARGRXRAHNF4A
SCHEMBL7208544 0.77 RXRA (0.51) RARARARBRARGRXRARXRB

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