SCHEMBL12824263

SCHEMBL12824263

CC(C)[C@H](N)C(=O)NC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 2/20 0.47
ATM Q13315 1/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
CYP3A4 P08684 1/20 0.45
EPHX2 P34913 1/20 0.45
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CASP6 P55212 1/20 0.42
GAA P10253 1/20 0.42
DPP4 P27487 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL1953168 1.00 EPHX1 (0.47) EPHX1SMN1; SMN2ALDH1A1ATMRAB9A
SCHEMBL1953167 1.00 EPHX1 (0.47) EPHX1SMN1; SMN2ALDH1A1ATMRAB9A
SCHEMBL12311005 0.98 EPHX1 (0.50) EPHX1SMN1; SMN2ALDH1A1ATMRAB9A
SCHEMBL8455512 0.98 EPHX1 (0.50) EPHX1SMN1; SMN2ALDH1A1ATMRAB9A
SCHEMBL25069101 0.96 EPHX1 (0.43) EPHX1SMN1; SMN2ALDH1A1ATMRAB9A
SCHEMBL5967831 0.92 SMYD3 (0.46) EPHX1SMN1; SMN2ALDH1A1ATMDPP4
SCHEMBL15054947 0.92 SMYD3 (0.46) EPHX1SMN1; SMN2ALDH1A1ATMDPP4
SCHEMBL28661580 0.92 SMYD3 (0.46) EPHX1SMN1; SMN2ALDH1A1ATMDPP4
SCHEMBL2735532 0.86 CPB2 (0.40) EPHX1SMN1; SMN2ALDH1A1ATMKDM4E
SCHEMBL2735524 0.85 KMT2A (0.48) EPHX1SMN1; SMN2ALDH1A1RAB9ANPC1

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-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed