SCHEMBL9718092

SCHEMBL9718092

CC(C)(C)OC(=O)NCCCCC(=O)NC1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.67
SMN1; SMN2 Q16637 1/20 0.57
EPHX2 P34913 5/20 0.51
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
GAA P10253 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 1/20 0.48

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
SCHEMBL21635473 0.96 EPHX1 (0.68) EPHX1SMN1; SMN2EPHX2HDAC3HDAC1
SCHEMBL12894206 0.83 EPHX1 (0.65) EPHX1EPHX2HDAC1HDAC6GAA
SCHEMBL24435431 0.83 EPHX1 (0.65) EPHX1EPHX2HDAC1HDAC6GAA
SCHEMBL8693601 0.83 EPHX1 (0.64) EPHX1SMN1; SMN2EPHX2GAATDP1
SCHEMBL26043679 0.81 EPHX1 (0.62) EPHX1SMN1; SMN2EPHX2HDAC1HDAC6
SCHEMBL12942650 0.81 EPHX1 (0.67) EPHX1SMN1; SMN2EPHX2HDAC1HDAC6
SCHEMBL14506128 0.80 EPHX1 (1.00) EPHX1EPHX2GAA
SCHEMBL20010904 0.79 EPHX1 (0.63) EPHX1SMN1; SMN2EPHX2HDAC1HDAC6
SCHEMBL25495471 0.79 EPHX1 (0.63) EPHX1SMN1; SMN2EPHX2HDAC1HDAC6
SCHEMBL15502085 0.79 TDP1 (0.48) EPHX1HDAC8GAATDP1

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 2 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