SCHEMBL2563382

SCHEMBL2563382

[CH2]CCCC(O)COCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.52
HTT P42858 1/20 0.50
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
LPAR5 Q9H1C0 2/20 0.44
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLA2G2C Q5R387 3/20 0.37
CASR P41180 1/20 0.37
LPAR6 P43657 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR4 Q99677 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
SCHEMBL28254598 0.90 USP2 (0.53) USP2HTTCYP3A4CYP1A2CYP2C19
SCHEMBL10397169 0.88 USP2 (0.59) USP2HTTCYP3A4CYP1A2CYP2C19
SCHEMBL7196477 0.84 USP2 (0.66) USP2HTTCYP3A4CYP1A2CYP2C19
SCHEMBL10420535 0.84 USP2 (0.66) USP2HTTCYP3A4CYP1A2CYP2C19
SCHEMBL7171054 0.84 USP2 (0.59) USP2HTTCYP3A4CYP1A2CYP2C19
SCHEMBL1629994 0.83 USP2 (0.65) USP2HTTCYP3A4CYP1A2CYP2C19
SCHEMBL8606221 0.82 USP2 (0.58) USP2HTTCYP3A4CYP1A2CYP2C19
SCHEMBL13036837 0.82 USP2 (0.58) USP2HTTCYP3A4CYP1A2CYP2C19
Dibuprol SCHEMBL1816462 0.81 USP2 (0.65) USP2HTTCYP3A4CYP1A2CYP2C19
SCHEMBL8776856 0.81 USP2 (0.61) USP2HTTCYP3A4CYP1A2CYP2C19

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-2011133546-A2 TIRE SEALER AND INFLATOR COMPOSITION HONEYWELL INTERNATIONAL INC (US) 2011-10-27 WO disclosed