SCHEMBL9718136

SCHEMBL9718136

NC(=O)CCCCCCCC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.57
KDM5A P29375 3/20 0.54
PHF8 Q9UPP1 3/20 0.54
KDM2A Q9Y2K7 3/20 0.54
KDM4C Q9H3R0 2/20 0.54
KDM4A O75164 1/20 0.54
NAAA Q02083 2/20 0.50
KMT2A Q03164 2/20 0.46
TARDBP Q13148 1/20 0.46
CYP1A2 P05177 1/20 0.45
EPHX1 P07099 1/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.44
GLA P06280 1/20 0.43
ALOX5 P09917 1/20 0.42

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
SCHEMBL25708125 1.00 SIGMAR1 (0.57) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL20408333 1.00 SIGMAR1 (0.57) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL8860844 1.00 SIGMAR1 (0.57) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL13520 1.00 SIGMAR1 (0.57) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL11010082 1.00 SIGMAR1 (0.57) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL24095875 0.98 SIGMAR1 (0.54) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL931403 0.98 SIGMAR1 (0.54) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL9203 0.98 SIGMAR1 (0.54) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL4537554 0.98 SIGMAR1 (0.54) SIGMAR1KDM5APHF8KDM2AKDM4C
SCHEMBL4677733 0.96 KDM5A (0.50) SIGMAR1KDM5APHF8KDM2AKDM4C

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