SCHEMBL7212191

SCHEMBL7212191

CCCCCCCOc1cc2c(cc1/C=C/c1ccc(C(=O)O)cc1)C1(C)CCCC2(C)C1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.41
HNF4A P41235 2/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
PPARG P37231 1/20 0.39
NR1H3 Q13133 1/20 0.39
PTPN11 Q06124 1/20 0.38
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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 0.86 RARA (0.44) RXRAHNF4ARARARARBRARG
SCHEMBL7207780 0.83 RARA (0.48) RXRAHNF4ARARARARBRARG
SCHEMBL8905399 0.83 RXRA (0.34) RXRAPPARGNR1H3ALDH1A1
SCHEMBL7212372 0.83 RXRA (0.34) RXRAPPARGNR1H3ALDH1A1
SCHEMBL6915189 0.81 RARA (0.60) RXRAHNF4ARARARARBRARG
SCHEMBL7124980 0.80 RARA (0.61) RXRAHNF4ARARARARBRARG
SCHEMBL7124972 0.80 RARA (0.61) RXRAHNF4ARARARARBRARG
SCHEMBL6915866 0.78 RARA (0.64) RXRAHNF4ARARARARBRARG
SCHEMBL7207118 0.77 RXRA (0.45) RXRARARARARBRARGPPARG
SCHEMBL7212192 0.76 RXRA (0.33) RXRAPPARGNR1H3

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 1 patent. 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 disclosed