SCHEMBL7825419

SCHEMBL7825419

CC(C)(C)OC(=O)N1CCCCC1C(=O)O.CCCCCCCC(C)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.44
▸ ACE P12821 3/20 0.44
▸ REN P00797 2/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL29055986 0.81 POLB (0.45) HSD17B10SMN1; SMN2POLBMEN1KMT2A
SCHEMBL65490 0.79 HSD17B10 (0.63) HSD17B10RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL77858 0.79 HSD17B10 (0.63) HSD17B10RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL65491 0.79 HSD17B10 (0.63) HSD17B10RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18358031 0.78 HSD17B10 (0.62) HSD17B10RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5898691 0.78 HSD17B10 (0.62) HSD17B10RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL222955 0.78 HSD17B10 (0.62) HSD17B10RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23394426 0.76 ACE (0.51) HSD17B10ACERENRAB9A
SCHEMBL85536 0.75 HSD17B10 (0.69) HSD17B10RAB9ASMN1; SMN2POLBMEN1
SCHEMBL67045 0.75 HSD17B10 (0.69) HSD17B10RAB9ASMN1; SMN2POLBMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
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