SCHEMBL27952176

SCHEMBL27952176

COC(=O)c1ccc2[nH]c(=O)n(C(N)CC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 16/20 0.48
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL27739914 0.89 B3GNT2 (0.60) B3GNT2
SCHEMBL27760417 0.77 B3GNT2 (0.50) B3GNT2KDM4EALDH1A1GLAGAA
SCHEMBL20529180 0.77 B3GNT2 (0.57) B3GNT2KDM4EALDH1A1HPGDKMT2A
SCHEMBL25432383 0.77 B3GNT2 (0.64) B3GNT2NPC1RAB9A
SCHEMBL7436018 0.75 B3GNT2 (0.47) B3GNT2KDM4EALDH1A1GLAGAA
SCHEMBL891359 0.72 KDM4E (0.47) B3GNT2KDM4EALDH1A1GLAGAA
SCHEMBL1759187 0.70 CREBBP (0.51) B3GNT2KDM4EALDH1A1GLAGAA
SCHEMBL20529258 0.70 KMT2A (0.55) B3GNT2KDM4EALDH1A1GLAGAA
SCHEMBL30289054 0.70 GABRA1 (0.50) B3GNT2KDM4EALDH1A1GLAGAA
SCHEMBL27311008 0.70 MTNR1A (0.42) KMT2A

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
CN-101420942-B Small-molecule modulators of TRP-P8 activity DENDREON CORP 2014-03-12 CN disclosed