SCHEMBL28046540

SCHEMBL28046540

CC1N(C(=O)O)CCCC1(C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ BTK Q06187 1/20 0.30

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
SCHEMBL16031035 0.88 HSD17B10 (0.39) HSD17B10SMN1; SMN2HPGD
SCHEMBL16148112 0.79 HSD17B10 (0.42) HSD17B10SMN1; SMN2HPGD
SCHEMBL16031033 0.79 HSD17B10 (0.42) HSD17B10SMN1; SMN2HPGD
SCHEMBL16031037 0.79 HSD17B10 (0.42) HSD17B10SMN1; SMN2HPGD
SCHEMBL22341351 0.79 MMP2 (0.35) —
SCHEMBL21408171 0.72 DPP4 (0.35) HPGD
SCHEMBL4748069 0.71 MAPK1 (0.32) MAPK1HPGDBTK
SCHEMBL21408159 0.71 HSD17B10 (0.42) HSD17B10SMN1; SMN2HPGD
SCHEMBL29775769 0.71 HSD17B10 (0.42) HSD17B10SMN1; SMN2HPGD
SCHEMBL17631948 0.70 HSD17B10 (0.38) HSD17B10SMN1; SMN2HPGD

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-105228995-A The piperidine compounds replaced and they are as the purposes of orexin receptor conditioning agent JANSSEN PHARMACEUTICA NV 2016-01-06 — — CN disclosed
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