SCHEMBL7240272

SCHEMBL7240272

CCCCCCCC=C(F)c1ccc(OCc2ccc(CCCCCCCCCC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
SMPD1 P17405 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
ESR1 P03372 9/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44

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
SCHEMBL7239553 1.00 HRH3 (0.48) HRH3SMPD1ALDH1A1LMNACYP3A4
SCHEMBL7239557 1.00 HRH3 (0.48) HRH3SMPD1ALDH1A1LMNACYP3A4
SCHEMBL7240267 1.00 HRH3 (0.48) HRH3SMPD1ALDH1A1LMNACYP3A4
SCHEMBL7231369 0.95 HRH3 (0.48) HRH3SMPD1ALDH1A1LMNACYP3A4
SCHEMBL7231378 0.95 HRH3 (0.48) HRH3SMPD1ALDH1A1LMNACYP3A4
SCHEMBL7228634 0.87 THRA (0.51) ALDH1A1LMNACYP3A4MEN1KMT2A
SCHEMBL7228631 0.87 THRA (0.51) ALDH1A1LMNACYP3A4MEN1KMT2A
SCHEMBL7232554 0.84 SENP8 (0.49) HRH3ALDH1A1LMNAMEN1KMT2A
SCHEMBL7232559 0.84 SENP8 (0.49) HRH3ALDH1A1LMNAMEN1KMT2A
SCHEMBL7229653 0.84 RARB (0.57) ALDH1A1LMNACYP3A4MEN1KMT2A

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