SCHEMBL9850876

SCHEMBL9850876

CC(=O)NCC(=O)CCCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.42
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
KDM5A P29375 3/20 0.40
PHF8 Q9UPP1 3/20 0.40
KDM2A Q9Y2K7 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM4A O75164 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
EPHX1 P07099 2/20 0.39
P2RX7 Q99572 1/20 0.38
GLA P06280 1/20 0.38
BMP1 P13497 1/20 0.37

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
SCHEMBL11438858 0.80 CYP1A2 (0.50) CYP1A2HPGDKDM5APHF8KDM2A
SCHEMBL8392406 0.79 KDM4E (0.50) CYP1A2HPGDSIGMAR1EPHX1
SCHEMBL8392716 0.79 KDM4E (0.50) CYP1A2HPGDSIGMAR1EPHX1
SCHEMBL19731592 0.77 SIGMAR1 (0.56) CYP1A2KDM5APHF8KDM2AKDM4C
SCHEMBL12344961 0.77 CYP1A2 (0.54) CYP1A2HPGDKDM5APHF8KDM2A
SCHEMBL8395918 0.77 KDM4E (0.52) CYP1A2SIGMAR1EPHX1
SCHEMBL9668398 0.76 CYP1A2 (0.52) CYP1A2HPGDKDM5APHF8KDM2A
SCHEMBL24115530 0.76 SIGMAR1 (0.59) KDM5APHF8KDM2AKDM4CKDM4A
SCHEMBL9253742 0.76 CYP1A2 (0.56) CYP1A2HPGDKDM5APHF8KDM2A
SCHEMBL9257724 0.76 CYP1A2 (0.56) CYP1A2HPGDKDM5APHF8KDM2A

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
EP-0447188-A2 7-Oxabicycloheptane imidazole prostaglandin analogs useful in the treatment of thrombotic and vasospastic diseases E.R. SQUIBB & SONS, INC. (US) 1991-09-18 EP disclosed
EP-0403090-A1 7-oxabicycloheptane imidazole prostaglandin analogs useful in the treatment of thrombotic and vasopastic disease E.R. SQUIBB & SONS, INC. (US) 1990-12-19 EP disclosed
US-4977174-A Anticoagulants, antischemic agents E. R. SQUIBB & SONS, INC. (US) 1990-12-11 US disclosed