SCHEMBL16012013

SCHEMBL16012013

C=CCCC(C)CC(O)COC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLA2G2C Q5R387 1/20 0.31

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
SCHEMBL16011862 1.00 USP2 (0.40) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL28238645 0.82
SCHEMBL13728975 0.79 TSHR (0.33) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL13728977 0.79 TSHR (0.33) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL22366992 0.76 ATM (0.33) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL13728933 0.76 ATM (0.33) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL28330596 0.75 USP2 (0.46) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL16012323 0.74 SLC7A5 (0.34) USP2ALDH1A1CYP3A4MAPTHPGD
SCHEMBL25612682 0.73 L3MBTL1 (0.39) USP2ALDH1A1CYP3A4MAPTPLA2G2C
SCHEMBL16012219 0.73 USP2 (0.53) USP2ALDH1A1CYP3A4MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964664-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2016-01-13 EP disclosed
WO-2014137869-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-12 WO disclosed