SCHEMBL11085609

SCHEMBL11085609

O=C(Cc1ccccc1)NC1CCCC1S

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.58
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP13 P45452 2/20 0.53
MMP7 P09237 1/20 0.53
GLS O94925 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
MMP14 P50281 1/20 0.48
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CDK5 Q00535 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
SCHEMBL11079215 0.97 EPHX2 (0.62) EPHX2MMP2MMP9MMP13MMP7
SCHEMBL11077879 0.95 EPHX2 (0.65) EPHX2MMP2MMP9MMP13MMP7
SCHEMBL11083024 0.83 EPHX2 (0.59) EPHX2GLSMEN1KMT2AHDAC8
SCHEMBL6385132 0.79 EPHX2 (0.64) EPHX2GLSMEN1KMT2AHDAC8
SCHEMBL11087924 0.79 EPHX2 (0.64) EPHX2GLSMEN1KMT2AHDAC8
SCHEMBL5049597 0.78 EPHX2 (0.90) EPHX2MEN1KMT2AHDAC8HDAC6
SCHEMBL9637883 0.78 EPHX2 (0.62) EPHX2MMP2MMP9MMP13GLS
SCHEMBL11079169 0.78 EPHX2 (0.67) EPHX2GLSMEN1KMT2AHDAC8
SCHEMBL5993629 0.77 EPHX2 (0.52) EPHX2GLSMEN1KMT2AHDAC8
SCHEMBL10970807 0.76 EPHX2 (0.59) EPHX2GLSMEN1KMT2AHDAC8

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
US-4460600-A Adjacently substituted ketal derivatives of cycloalkane-amide analgesics THE UPJOHN COMPANY (US) 1984-07-17 US disclosed