SCHEMBL8046103

SCHEMBL8046103

C=CCOc1ccc(-c2ncc(-c3ccc(/C=C/CCCC(C)O)cc3)cn2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.32
CDK4 P11802 1/20 0.32
CCNA2 P20248 1/20 0.32
CCND1 P24385 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
KDR P35968 1/20 0.32
LSS P48449 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.31
FLT3 P36888 1/20 0.31
LTA4H P09960 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
SCHEMBL8046107 1.00 CHEK1 (0.32) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL8046762 0.96 CHEK1 (0.32) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL8046757 0.96 CHEK1 (0.32) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL8046895 0.94 LSS (0.33) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL8046889 0.94 LSS (0.33) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL8053914 0.93 AAK1 (0.32) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL8053910 0.93 AAK1 (0.32) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL8048937 0.91 FLT3 (0.34) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL8036689 0.91 FLT3 (0.34) CHEK1CDK4CCNA2CCND1CDK2
SCHEMBL8036684 0.91 FLT3 (0.34) CHEK1CDK4CCNA2CCND1CDK2

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