SCHEMBL7238233

SCHEMBL7238233

CCCCCCC/C=C/c1ccc(CCc2ccc(CCCCCCCCCC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.63
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
CYP3A4 P08684 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
SHBG P04278 1/20 0.50
TP53 P04637 1/20 0.50
HSPD1 P10809 1/20 0.50
ADRB3 P13945 1/20 0.50
HTR2C P28335 1/20 0.50
HSPE1 P61604 1/20 0.50
HIF1A Q16665 1/20 0.50
TST Q16762 1/20 0.50

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
SCHEMBL7238237 1.00 TNNC1 (0.63) TNNC1ESR1ADRA2AADORA3TACR2
SCHEMBL26650594 0.98 TNNC1 (0.65) TNNC1ESR1ADRA2AADORA3TACR2
SCHEMBL27875999 0.98 TNNC1 (0.65) TNNC1ESR1ADRA2AADORA3TACR2
SCHEMBL26650480 0.98 TNNC1 (0.65) TNNC1ESR1ADRA2AADORA3TACR2
SCHEMBL27876015 0.96 TNNC1 (0.62) TNNC1ESR1ADRA2AADORA3TACR2
SCHEMBL9802056 0.95 TNNC1 (0.61) TNNC1ESR1ADRA2AADORA3TACR2
SCHEMBL9802061 0.95 TNNC1 (0.61) TNNC1ESR1ADRA2AADORA3TACR2
SCHEMBL7239078 0.93 TNNC1 (0.63) TNNC1ESR1ADRA2AADORA3TACR2
SCHEMBL7239080 0.93 TNNC1 (0.63) TNNC1ESR1ADRA2AADORA3TACR2
SCHEMBL7233382 0.93 TNNC1 (0.56) TNNC1ESR1ADRA2AADORA3TACR2

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-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
EP-0781827-A1 Liquid crystal mixture and liquid crystal device comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-02 EP disclosed