SCHEMBL5727784

SCHEMBL5727784

O=C(O)NCCc1ccc(OCCCl)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
TAAR1 Q96RJ0 2/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ACACB O00763 2/20 0.50
MAPT P10636 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ALDH1A1 P00352 1/20 0.49
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.46
FFAR1 O14842 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5726654 0.86 ACACB (0.67) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL23928126 0.84 TAAR1 (0.55) KMT2AMEN1TAAR1RAB9ANPC1
SCHEMBL17935564 0.84 NPC1 (0.68) KMT2AMEN1TAAR1RAB9ANPC1
SCHEMBL23928192 0.84 KMT2A (0.54) KMT2AMEN1TAAR1RAB9ANPC1
SCHEMBL1309567 0.83 ALDH1A1 (0.55) KMT2AMEN1TAAR1RAB9ANPC1
SCHEMBL23928140 0.83 KMT2A (0.59) KMT2AMEN1TAAR1RAB9ANPC1
SCHEMBL4519919 0.81 MAPT (0.67) KMT2ARAB9ANPC1SMN1; SMN2ACACB
SCHEMBL23928111 0.81 HRH3 (0.62) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL15822904 0.81 KMT2A (0.50) KMT2AMEN1TAAR1RAB9ANPC1
SCHEMBL9439608 0.81 KMT2A (0.53) KMT2AMEN1TAAR1RAB9ANPC1

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-1502590-B1 Heterocyclic oxime derivatives, process for their preparation and use thereof in the treatment of type II diabetes SERVIER LAB (FR) 2006-12-20 EP disclosed
EP-1502590-A1 Heterocyclic oxime derivatives, process for their preparation and use thereof in the treatment of type II diabetes Les Laboratoires Servier (FR) 2005-02-02 EP disclosed