SCHEMBL8380722

SCHEMBL8380722

CCCCCCCc1ccc(OC(=O)c2ccc(CCCCCCC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.64
THRA P10827 8/20 0.64
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
RARB P10826 5/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
RARA P10276 1/20 0.58
MTOR P42345 1/20 0.58
NPC1 O15118 2/20 0.57
LMNA P02545 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 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
SCHEMBL8357893 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9514956 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL11135663 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL8375690 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9016853 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9341873 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9342490 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9571636 1.00 THRB (0.64) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL8021213 0.98 THRB (0.62) THRBTHRAMAPTSMN1; SMN2RARB
SCHEMBL9511143 0.98 THRB (0.62) 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 7 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
EP-0452460-B1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK PATENT GMBH (DE) 1995-01-18 EP disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed
EP-0452460-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM. MERCK PATENT GMBH (DE) 1991-10-23 EP 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