SCHEMBL14343513

SCHEMBL14343513

O=C(O)CCCCCN/C(O)=C(\C(=O)NC1CCCCC1)C(=S)NCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 10/20 0.57
▸ EPHX2 P34913 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ PTPN5 P54829 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TAAR1 Q96RJ0 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
SCHEMBL14343570 0.89 EPHX1 (0.61) EPHX1EPHX2ALDH1A1SMN1; SMN2
SCHEMBL14343846 0.84 NPC1 (0.51) EPHX1EPHX2ALDH1A1SMN1; SMN2NPC1
SCHEMBL28612121 0.74 EPHX1 (1.00) EPHX1EPHX2
SCHEMBL15741883 0.74 EPHX1 (1.00) EPHX1EPHX2
SCHEMBL1066578 0.74 EPHX1 (1.00) EPHX1EPHX2
SCHEMBL1065387 0.74 EPHX1 (1.00) EPHX1EPHX2
SCHEMBL14343558 0.71 SMN1; SMN2 (0.50) EPHX1EPHX2ALDH1A1SMN1; SMN2NPC1
SCHEMBL14343076 0.71 SMN1; SMN2 (0.50) EPHX1EPHX2ALDH1A1SMN1; SMN2NPC1
SCHEMBL14343422 0.69 EPHX2 (0.44) EPHX2ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15480466 0.69 SMN1; SMN2 (0.81) EPHX1EPHX2ALDH1A1SMN1; SMN2MAPK1

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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