SCHEMBL8053733

SCHEMBL8053733

C=CCOc1ccc(-c2cc3ccc(C=CCCCC(C)O)cc3cn2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
FAAH O00519 2/20 0.32
CHEK1 O14757 1/20 0.31
CDK4 P11802 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 1/20 0.31
CDK2 P24941 1/20 0.31
CCND3 P30281 1/20 0.31
KDR P35968 1/20 0.31
AAK1 Q2M2I8 2/20 0.30
MAPK9 P45984 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
TDO2 P48775 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
SCHEMBL8053730 1.00 NPC1 (0.32) NPC1CASP3RAB9ASENP7FAAH
SCHEMBL8051742 0.90 CHEK1 (0.33) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL8051744 0.90 CHEK1 (0.33) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL8045757 0.89 DGAT1 (0.34) FAAHCHEK1CDK4CCNA2CCND1
SCHEMBL8045762 0.89 DGAT1 (0.34) FAAHCHEK1CDK4CCNA2CCND1
SCHEMBL8051664 0.88 MAPT (0.37) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL8051658 0.88 MAPT (0.37) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL8047658 0.87 NPC1 (0.40) NPC1CASP3RAB9ASENP7TDO2
SCHEMBL8047652 0.87 NPC1 (0.40) NPC1CASP3RAB9ASENP7TDO2
SCHEMBL8047738 0.87 DGAT1 (0.34) FAAHCHEK1CDK4CCNA2CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed