SCHEMBL11079169

SCHEMBL11079169

O=C(Cc1ccccc1)NC1CCCCCC1O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.67
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
GLS O94925 1/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NTRK1 P04629 2/20 0.48
CHRM1 P11229 3/20 0.48
SIGMAR1 Q99720 1/20 0.48
POLB P06746 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CDK5 Q00535 1/20 0.47

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
SCHEMBL11087924 0.98 EPHX2 (0.64) EPHX2MEN1KMT2AALDH1A1GLS
SCHEMBL11083024 0.95 EPHX2 (0.59) EPHX2MEN1KMT2AALDH1A1GLS
SCHEMBL11077879 0.83 EPHX2 (0.65) EPHX2MEN1KMT2AALDH1A1GLS
SCHEMBL4992517 0.83 EPHX2 (0.50) EPHX2MEN1KMT2AALDH1A1CHRM1
SCHEMBL6385132 0.83 EPHX2 (0.64) EPHX2MEN1KMT2AALDH1A1GLS
SCHEMBL11079215 0.81 EPHX2 (0.62) EPHX2MEN1KMT2AALDH1A1GLS
SCHEMBL9637883 0.81 EPHX2 (0.62) EPHX2MEN1KMT2AALDH1A1GLS
SCHEMBL5051924 0.80 EPHX2 (1.00) EPHX2MEN1KMT2AALDH1A1NPC1
SCHEMBL3397254 0.80 EPHX2 (1.00) EPHX2MEN1KMT2AALDH1A1NPC1
SCHEMBL2753089 0.78 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