SCHEMBL14619573

SCHEMBL14619573

C=C(CCC=C(C)C)CCC(C)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.36
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL14619570 0.84 MAPT (0.36) ALDH1A1CYP2D6CYP2C19TSHRHPGD
SCHEMBL14619567 0.84 FAAH (0.36) ALDH1A1CYP2D6CYP2C19TSHRPOLB
SCHEMBL16897675 0.82 ALOX15 (0.51) ALOX15ALDH1A1CYP2D6CYP2C19TSHR
SCHEMBL14606153 0.76 ALOX15 (0.58) ALOX15ALDH1A1CYP2D6CYP2C19TSHR
SCHEMBL14619568 0.73 CYP3A4 (0.33) CYP2C19
SCHEMBL16599025 0.73 ALDH1A1 (0.42) ALOX15ALDH1A1CYP2D6CYP2C19TSHR
SCHEMBL20773608 0.72 ALOX15 (0.36) ALOX15ALDH1A1CYP2D6CYP2C19TSHR
SCHEMBL10837285 0.71 ALDH1A1 (0.41) ALOX15ALDH1A1CYP2D6CYP2C19HPGD
SCHEMBL20778827 0.71 FNTA (0.45) ALOX15ALDH1A1TSHRFNTAFNTB
SCHEMBL9577318 0.71 ALOX15 (0.39) ALOX15ALDH1A1TSHRFNTAFNTB

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
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed