SCHEMBL9842398

SCHEMBL9842398

CCCCCc1ccc(C(=O)O)c(-c2ccc(C)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.61
PPARA Q07869 2/20 0.59
RARA P10276 2/20 0.58
RARG P13631 1/20 0.58
KAT8 Q9H7Z6 2/20 0.56
PPARG P37231 1/20 0.56
PLK1 P53350 6/20 0.55
PLK3 Q9H4B4 1/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL4908288 0.93 RARB (0.66) RARBPPARARARARARGKAT8
SCHEMBL20594624 0.92 RARB (0.65) RARBPPARARARARARGPLK1
SCHEMBL11135668 0.92 RARB (0.68) RARBPPARARARARARGKAT8
SCHEMBL9247776 0.92 RARB (0.68) RARBPPARARARARARGKAT8
SCHEMBL5665865 0.92 RARB (0.64) RARBPPARARARARARGKAT8
SCHEMBL9155410 0.92 RARB (0.68) RARBPPARARARARARGKAT8
SCHEMBL5666124 0.92 RARB (0.64) RARBPPARARARARARGKAT8
SCHEMBL9511147 0.90 RARB (0.67) RARBPPARARARARARGKAT8
SCHEMBL9842588 0.90 RARB (0.63) RARBPPARARARARARGKAT8
SCHEMBL9755592 0.89 RARB (0.65) RARBPPARARARARARGKAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413785-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS. MERCK PATENT GMBH (DE) 1991-02-27 EP disclosed
WO-1990009420-A1 LIQUID CRYSTALLINE MEDIA CONTAINING FLUORINATED OLIGOPHENYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed