SCHEMBL6252970

SCHEMBL6252970

NC(=O)CCCCCC=C(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.50
SOAT1 P35610 2/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 2/20 0.46
CNR1 P21554 1/20 0.38
TBXAS1 P24557 1/20 0.37
ABCC4 O15439 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL6821586 1.00 FAAH (0.50) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL8773549 0.82 MAPT (0.56) FAAHCYP1A2CYP2C19KMT2AABCC4
SCHEMBL6821345 0.82 MAPT (0.56) FAAHCYP1A2CYP2C19KMT2AABCC4
SCHEMBL6252065 0.82 MAPT (0.56) FAAHCYP1A2CYP2C19KMT2AABCC4
Hydrochloric Acid SCHEMBL6848395 0.80 MAPT (0.54) FAAHCYP1A2CYP2C19KMT2AABCC4
SCHEMBL6848394 0.80 ALDH1A1 (0.46) FAAHTP53CYP1A2CYP2C19ABCC4
SCHEMBL9712564 0.80 PAOX (0.46) FAAHCYP1A2CYP2C19KMT2AMAPT
SCHEMBL10412774 0.79 ALDH1A1 (0.61) FAAHKDM4EALDH1A1HDAC3HDAC4
SCHEMBL557244 0.79 FAAH (0.52) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL15262896 0.75 FAAH (0.78) FAAHSOAT1MEN1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005063018-A1 HALOALKENE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-07-14 WO disclosed