SCHEMBL8045757

SCHEMBL8045757

C=CCOc1ccc(-c2ccc(/C=C/CCCC(C)O)cn2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
AAK1 Q2M2I8 5/20 0.32
LSS P48449 1/20 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
FAAH O00519 1/20 0.31
GRM2 Q14416 1/20 0.31
TRPV3 Q8NET8 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
SCHEMBL8045762 1.00 DGAT1 (0.34) DGAT1AAK1LSSCHEK1CDK4
SCHEMBL8051218 0.96 AAK1 (0.33) DGAT1AAK1LSSCHEK1CDK4
SCHEMBL8051215 0.96 AAK1 (0.33) DGAT1AAK1LSSCHEK1CDK4
SCHEMBL8047738 0.95 DGAT1 (0.34) DGAT1AAK1LSSCHEK1CDK4
SCHEMBL8047741 0.95 DGAT1 (0.34) DGAT1AAK1LSSCHEK1CDK4
SCHEMBL8046279 0.94 AAK1 (0.33) DGAT1AAK1LSSCHEK1CDK4
SCHEMBL8046276 0.94 AAK1 (0.33) DGAT1AAK1LSSCHEK1CDK4
SCHEMBL8053733 0.89 NPC1 (0.32) AAK1CHEK1CDK4CCNA2CCND1
SCHEMBL8053730 0.89 NPC1 (0.32) AAK1CHEK1CDK4CCNA2CCND1
SCHEMBL8036689 0.89 FLT3 (0.34) AAK1LSSCHEK1CDK4CCNA2

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