SCHEMBL7230108

SCHEMBL7230108

CCCC/C=C/c1ccc(CCc2ccc(CCC)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.41
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
CTNNB1 P35222 2/20 0.33
TCF7L2 Q9NQB0 2/20 0.33
RARB P10826 3/20 0.32
S1PR1 P21453 2/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
S1PR3 Q99500 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL7230114 1.00 TNNC1 (0.41) TNNC1HTR2AHTR2CMAPTATM
SCHEMBL7237308 0.96 TNNC1 (0.46) TNNC1HTR2AHTR2CMAPTATM
SCHEMBL7237306 0.96 TNNC1 (0.46) TNNC1HTR2AHTR2CMAPTATM
SCHEMBL7239570 0.92 HTR2A (0.35) TNNC1HTR2AHTR2CNPC1TP53
SCHEMBL7239571 0.92 HTR2A (0.35) TNNC1HTR2AHTR2CNPC1TP53
SCHEMBL7241048 0.82 TNNC1 (0.55) TNNC1HTR2AHTR2CTP53HSD17B10
SCHEMBL7241049 0.82 TNNC1 (0.55) TNNC1HTR2AHTR2CTP53HSD17B10
SCHEMBL7237574 0.81 NFE2L2 (0.40) TNNC1HTR2AHTR2CS1PR1RAB9A
SCHEMBL7237571 0.81 NFE2L2 (0.40) TNNC1HTR2AHTR2CS1PR1RAB9A
SCHEMBL7239794 0.80 TUBB1 (0.37) NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6623810-B2 Refractive index anisotropy SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-23 US disclosed
US-20010050353-A1 Phenylacetylene compound, liquid crystal composition, and liquid crystal element produced with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-13 US disclosed
EP-0781827-B1 Liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL CO (JP) 2001-06-13 EP disclosed
US-6149837-A SUBSTITUTED 1,4-BIS(SUBSTITUED PHENYLACETYLENE)BENZENE WHERE AT LEAST ONE RING HAS AN ALKYL ATTACHMENT, HAS A LARGE ANISOTROPY OF REFRACTIVE INDEX, TENDS TO BE MIXED WITH OTHER LIQUID CRYSTALS, IS LIGHT STABLE; LIQUID CRYSTAL ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-11-21 US disclosed
US-5866035-A LARGE BIREFRINGENCE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0781827-A1 Liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-02 EP disclosed