SCHEMBL7739376

SCHEMBL7739376

CCOC(=O)C(C(=O)OCC)C(CC#N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
PIN1 Q13526 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A3 Q01959 3/20 0.42
SLC6A4 P31645 2/20 0.42
TSHR P16473 1/20 0.40
CASR P41180 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
SCHEMBL11357210 0.87 MMP8 (0.46) MMP8MEN1KMT2ANPC1PIN1
SCHEMBL4859412 0.86 KMT2A (0.50) MEN1KMT2ASLC6A3TSHR
SCHEMBL6535530 0.85 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2GAA
SCHEMBL11442350 0.85 ALDH1A1 (0.38) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL7374272 0.82 MMP8 (0.53) MMP8MEN1KMT2ANPC1PIN1
SCHEMBL10677671 0.82 MMP8 (0.42) MMP8MEN1KMT2ANPC1PIN1
SCHEMBL10342626 0.81 MMP8 (0.49) MMP8MEN1KMT2ANPC1PIN1
SCHEMBL17396664 0.81 EPHX1 (0.42) MEN1KMT2ASMN1; SMN2GAA
SCHEMBL10682628 0.80 MMP8 (0.40) MMP8MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL10676619 0.80 MMP8 (0.40) MMP8MEN1KMT2ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002076940-A2 PROCESS FOR PREPARING ARYLPIPERIDINE CARBINOL INTERMEDIATES AND DERIVATIVES PENTECH PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
EP-1124802-A1 PROCESS FOR PRODUCING 4-ARYLPIPERIDINE-3-CARBINOLS AND RELATED COMPOUNDS Synthon B.V. (NL) 2001-08-22 EP disclosed
WO-2000026187-A1 PROCESS FOR PRODUCING 4-ARYLPIPERIDINE-3-CARBINOLS AND RELATED COMPOUNDS SYNTHON B.V. (NL) 2000-05-11 WO disclosed