SCHEMBL9718209

SCHEMBL9718209

CC(C)(C)OC(=O)NC(=O)[C@H](CO)NC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.48
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GAA P10253 1/20 0.46
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
BTK Q06187 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ATM Q13315 1/20 0.37
CACNA1B Q00975 3/20 0.36
KMT2A Q03164 1/20 0.34

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
SCHEMBL7269874 0.82 GAA (0.48) EPHX1HDAC4HDAC1HDAC6GAA
SCHEMBL9718272 0.81 CTSS (0.47) EPHX1HDAC4HDAC1HDAC6GAA
SCHEMBL18460227 0.79 HDAC4 (0.68) EPHX1HDAC4HDAC1HDAC6GAA
SCHEMBL9718207 0.79 HDAC4 (0.68) EPHX1HDAC4HDAC1HDAC6GAA
SCHEMBL9425883 0.78 CTSS (0.45) EPHX1HDAC4HDAC1HDAC6CTSS
SCHEMBL11096628 0.75 HDAC4 (0.51) EPHX1HDAC4HDAC1HDAC6GAA
SCHEMBL29400626 0.75 HDAC4 (0.51) EPHX1HDAC4HDAC1HDAC6GAA
SCHEMBL11505471 0.75 HDAC4 (0.51) EPHX1HDAC4HDAC1HDAC6GAA
SCHEMBL10825239 0.72 EPHX1 (0.43) EPHX1HDAC4HDAC1HDAC6GAA
SCHEMBL19744864 0.72 EPHX1 (0.43) EPHX1HDAC4HDAC1HDAC6GAA

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
US-5153327-A 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1992-10-06 US disclosed
US-5100889-A Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor E. R. SQUIBB & SONS, INC. (US) 1992-03-31 US disclosed
EP-0374952-A2 7-Oxabicycloheptyl substituted heterocyclic amide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E.R. SQUIBB & SONS, INC. (US) 1990-06-27 EP disclosed