SCHEMBL14342816

SCHEMBL14342816

O=C(O)CNC(=O)/C(C(=O)NC1CCCCC1)=C(\O)NC1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 4/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CHRM5 P08912 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DUSP3 P51452 1/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ TAAR1 Q96RJ0 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
SCHEMBL14343076 0.92 SMN1; SMN2 (0.50) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14343558 0.92 SMN1; SMN2 (0.50) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14343663 0.88 SMN1; SMN2 (0.39) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14342713 0.84 SMN1; SMN2 (0.42) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14343496 0.81 EPHX1 (0.54) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14342803 0.81 EPHX1 (0.54) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14343846 0.79 NPC1 (0.51) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14343810 0.77 SMN1; SMN2 (0.38) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14343664 0.75 EPHX1 (0.55) EPHX1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14343570 0.75 EPHX1 (0.61) EPHX1SMN1; SMN2ALDH1A1EPHX2

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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