SCHEMBL9755592

SCHEMBL9755592

CCCCCCCc1ccc(C(=O)O)c(-c2ccc(CCC)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.65
RARA P10276 2/20 0.65
RARG P13631 1/20 0.65
PPARA Q07869 2/20 0.63
KAT8 Q9H7Z6 2/20 0.59
PPARG P37231 1/20 0.59
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
MTOR P42345 1/20 0.58
KMT2A Q03164 1/20 0.58
MCL1 Q07820 1/20 0.52
PLK1 P53350 2/20 0.52

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
SCHEMBL9842588 0.99 RARB (0.63) RARBRARARARGPPARAKAT8
SCHEMBL9247776 0.97 RARB (0.68) RARBRARARARGPPARAKAT8
SCHEMBL11135668 0.97 RARB (0.68) RARBRARARARGPPARAKAT8
SCHEMBL9155410 0.97 RARB (0.68) RARBRARARARGPPARAKAT8
SCHEMBL9511147 0.96 RARB (0.67) RARBRARARARGPPARAKAT8
SCHEMBL4908288 0.96 RARB (0.66) RARBRARARARGPPARAKAT8
SCHEMBL5666124 0.94 RARB (0.64) RARBRARARARGPPARAKAT8
SCHEMBL5665865 0.94 RARB (0.64) RARBRARARARGPPARAKAT8
SCHEMBL5665946 0.91 RARB (0.59) RARBRARARARGPPARAKAT8
SCHEMBL2433673 0.90 PPARA (0.66) RARBRARARARGPPARAKAT8

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
WO-1991005029-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-18 WO disclosed