SCHEMBL7958339

SCHEMBL7958339

OCCc1coc2c(OC3CCCCO3)cccc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.36
TBXA2R P21731 7/20 0.36
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
DHFR P00374 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 1/20 0.32
PDE4B Q07343 1/20 0.31

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
SCHEMBL7958407 0.88 KDM4C (0.36) PTGIRTBXA2RKDM4CL3MBTL1DHFR
SCHEMBL7948790 0.84 SMN1; SMN2 (0.41) PTGIRTBXA2RMEN1KMT2APTPN1
SCHEMBL7952633 0.77 KDM4C (0.33) PTGIRTBXA2RKDM4C
SCHEMBL4130976 0.73 PSMB8 (0.46) PTGIRTBXA2RMEN1KMT2A
SCHEMBL8601836 0.71 SIGMAR1 (0.38) KDM4CL3MBTL1DHFRPDE4B
SCHEMBL11301037 0.71 PTGIR (0.47) PTGIRTBXA2R
SCHEMBL30788461 0.70 KDM4C (0.41) KDM4CL3MBTL1DHFRMEN1KMT2A
SCHEMBL6342508 0.70 KDM4C (0.41) KDM4CL3MBTL1DHFRMEN1KMT2A
SCHEMBL11057549 0.70 KDM4C (0.44) KDM4CL3MBTL1DHFRMEN1KMT2A
SCHEMBL6362992 0.69 KDM4C (0.42) KDM4CL3MBTL1DHFRMEN1KMT2A

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