SCHEMBL7948790

SCHEMBL7948790

O=C(O)Cc1coc2c(OC3CCCCO3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
PTGIR P43119 10/20 0.39
TBXA2R P21731 7/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL7958339 0.84 PTGIR (0.36) PTGIRTBXA2RMEN1KMT2APTPN1
SCHEMBL7958407 0.82 KDM4C (0.36) PTGIRTBXA2RMEN1KMT2APTPN1
SCHEMBL7221504 0.81 HPGD (0.44) MEN1KMT2APTPN1
SCHEMBL7948483 0.74 PSMB8 (0.56) SMN1; SMN2PTGIRTBXA2RMEN1KMT2A
SCHEMBL7952633 0.74 KDM4C (0.33) PTGIRTBXA2R
Hydrochloric Acid SCHEMBL10671160 0.73 PSMB8 (0.55) SMN1; SMN2PTGIRTBXA2RMEN1KMT2A
SCHEMBL16861344 0.72 HPGD (0.42) MEN1KMT2APTPN1KDM4E
SCHEMBL9535725 0.72 KDM4E (0.44) MEN1KMT2AKDM4E
SCHEMBL10918433 0.70 HPGD (0.43) MEN1KMT2APTPN1
SCHEMBL11771086 0.69 DHFR (0.53) MEN1KMT2A

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-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed