SCHEMBL14342803

SCHEMBL14342803

CC(C)(C)C1CCC(NC(=O)/C(C(=O)NCC(=O)O)=C(/O)NC2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 4/20 0.54
▸ SMN1; SMN2 Q16637 7/20 0.43
▸ RAB9A P51151 6/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ EPHX2 P34913 3/20 0.39
▸ GAA P10253 1/20 0.35
▸ CPB2 Q96IY4 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ PTPN5 P54829 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL14343558 0.88 SMN1; SMN2 (0.50) EPHX1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL14343076 0.88 SMN1; SMN2 (0.50) EPHX1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL14342816 0.81 EPHX1 (0.50) EPHX1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL14342713 0.81 SMN1; SMN2 (0.42) EPHX1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL14343496 0.78 EPHX1 (0.54) EPHX1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL14343663 0.78 SMN1; SMN2 (0.39) EPHX1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL14343846 0.76 NPC1 (0.51) EPHX1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL14343158 0.75 EPHX1 (0.61) EPHX1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL14343795 0.75 RAB9A (0.62) EPHX1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL14343276 0.75 EPHX1 (0.58) EPHX1SMN1; SMN2RAB9ANPC1MAPT

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-2007150011-A2 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-12-27 — — WO disclosed
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