SCHEMBL11077879

SCHEMBL11077879

O=C(Cc1ccccc1)NC1CCCCCC1S

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.65
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MMP2 P08253 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
GLS O94925 1/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
POLB P06746 1/20 0.47
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
EPHX1 P07099 2/20 0.46

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 0.98 EPHX2 (0.62) EPHX2MEN1KMT2AALDH1A1MMP2
SCHEMBL11085609 0.95 EPHX2 (0.58) EPHX2MEN1KMT2AALDH1A1MMP2
SCHEMBL11079169 0.83 EPHX2 (0.67) EPHX2MEN1KMT2AALDH1A1GLS
SCHEMBL11087924 0.81 EPHX2 (0.64) EPHX2MEN1KMT2AALDH1A1GLS
SCHEMBL6385132 0.81 EPHX2 (0.64) EPHX2MEN1KMT2AALDH1A1GLS
SCHEMBL9637883 0.80 EPHX2 (0.62) EPHX2MEN1KMT2AALDH1A1MMP2
SCHEMBL3397254 0.79 EPHX2 (1.00) EPHX2MEN1KMT2AALDH1A1NPC1
SCHEMBL5051924 0.79 EPHX2 (1.00) EPHX2MEN1KMT2AALDH1A1NPC1
SCHEMBL11083024 0.78 EPHX2 (0.59) EPHX2MEN1KMT2AALDH1A1GLS
SCHEMBL2753089 0.77 EPHX2 (0.96) EPHX2MEN1KMT2AALDH1A1NPC1

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