SCHEMBL8377166

SCHEMBL8377166

CCCCCCCc1ccc(C(=O)Oc2ccc(CCC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.61
THRA P10827 7/20 0.61
MAPT P10636 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
RARB P10826 5/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
RARA P10276 1/20 0.55
MTOR P42345 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL9842583 0.98 THRB (0.61) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL3612308 0.98 THRB (0.61) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9016853 0.97 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9571636 0.97 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL8380722 0.97 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL8375690 0.97 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL8357893 0.97 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9341873 0.97 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9342490 0.97 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL11135663 0.97 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 US disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed
WO-1991005029-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-18 WO disclosed
US-4737312-A Liquid crystal composition MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-04-12 US disclosed
WO-1986002375-A1 LIQUID CRYSTAL COMPOSITION MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-04-24 WO disclosed