SCHEMBL8619271

SCHEMBL8619271

CCCCCCC/C=C/c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 1/20 0.51
ATM Q13315 2/20 0.43
LMNA P02545 2/20 0.43
XBP1 P17861 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KCNH2 Q12809 1/20 0.42
GPR183 P32249 2/20 0.40
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL8619275 1.00 TNNC1 (0.51) TNNC1ATMLMNAXBP1SMN1; SMN2
SCHEMBL14401828 0.92 TNNC1 (0.43) TNNC1ATMLMNAXBP1SMN1; SMN2
SCHEMBL7631405 0.88 CYP2C19 (0.42) TNNC1CYP2C19KDM4EALDH1A1HPGD
SCHEMBL7631408 0.88 CYP2C19 (0.42) TNNC1CYP2C19KDM4EALDH1A1HPGD
SCHEMBL6046924 0.88 TNNC1 (0.55) TNNC1KCNH2FAAHTRPV1ALDH1A1
SCHEMBL7122640 0.84 CYP2C19 (0.44) LMNASMN1; SMN2NPSR1GPR183CYP2C19
SCHEMBL7122638 0.84 CYP2C19 (0.44) LMNASMN1; SMN2NPSR1GPR183CYP2C19
SCHEMBL1001650 0.81 TNNC1 (0.55) TNNC1LMNANPSR1TRPV1CYP2C19
SCHEMBL1277033 0.81 TNNC1 (0.55) TNNC1LMNANPSR1TRPV1CYP2C19
SCHEMBL1140653 0.81 TNNC1 (0.51) TNNC1KCNH2FAAHTRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648723-B1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-05-20 EP disclosed
US-5658489-A EXCELLENT ANISOTROPY OF REFRACTIVE INDEX; LOW VISCOSITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0648723-A1 Diphenylacetylene compound, process for preparing the same and liquid crystal composition and element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-04-19 EP disclosed