SCHEMBL9755573

SCHEMBL9755573

CCCCCCCc1ccc(-c2ccc(C(=O)O)c(-c3ccc(-c4ccc(C#N)cc4)cc3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
HSD17B10 Q99714 1/20 0.65
RARB P10826 10/20 0.62
RARA P10276 2/20 0.62
RARG P13631 1/20 0.62
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
MTOR P42345 1/20 0.53
KMT2A Q03164 1/20 0.53
PPARA Q07869 2/20 0.51
LTB4R2 Q9NPC1 1/20 0.50
PPARG P37231 1/20 0.48
KAT8 Q9H7Z6 2/20 0.48

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
SCHEMBL3192071 0.94 TSHR (0.63) TSHRHSD17B10RARBRARARARG
SCHEMBL6269842 0.93 TSHR (0.60) TSHRHSD17B10RARBRARARARG
SCHEMBL6267448 0.92 TSHR (0.58) TSHRHSD17B10RARBRARARARG
SCHEMBL11768545 0.88 LTB4R2 (0.53) TSHRHSD17B10RARBRARARARG
SCHEMBL9485504 0.84 RARB (0.62) RARBRARARARGMEN1ALDH1A1
SCHEMBL11135668 0.84 RARB (0.68) RARBRARARARGMEN1ALDH1A1
SCHEMBL9155410 0.84 RARB (0.68) RARBRARARARGMEN1ALDH1A1
SCHEMBL9247776 0.84 RARB (0.68) RARBRARARARGMEN1ALDH1A1
SCHEMBL11521592 0.83 RARB (0.49) TSHRHSD17B10RARBRARARARG
SCHEMBL7512343 0.83 LTB4R2 (0.53) TSHRHSD17B10RARBRARARARG

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