SCHEMBL7958407

SCHEMBL7958407

BrCCc1coc2c(OC3CCCCO3)cccc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.36
PTGIR P43119 8/20 0.34
TBXA2R P21731 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHFR P00374 1/20 0.34
PDE4B Q07343 1/20 0.31
PTPN1 P18031 1/20 0.30
HTR1A P08908 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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 0.88 PTGIR (0.36) KDM4CPTGIRTBXA2RL3MBTL1DHFR
SCHEMBL7948790 0.82 SMN1; SMN2 (0.41) PTGIRTBXA2RPTPN1MEN1KMT2A
SCHEMBL8158814 0.80 HPGD (0.40) KDM4CL3MBTL1DHFRPDE4BPTPN1
SCHEMBL7952633 0.77 KDM4C (0.33) KDM4CPTGIRTBXA2R
SCHEMBL5234354 0.73 ALDH1A1 (0.46) PTGIRTBXA2RHTR1AMEN1KMT2A
SCHEMBL8601836 0.71 SIGMAR1 (0.38) KDM4CL3MBTL1DHFRPDE4B
SCHEMBL21916301 0.71 DHFR (0.38) KDM4CL3MBTL1DHFRPDE4BPTPN1
SCHEMBL30788461 0.70 KDM4C (0.41) KDM4CL3MBTL1DHFRPDE4BPTPN1
SCHEMBL6342508 0.70 KDM4C (0.41) KDM4CL3MBTL1DHFRPDE4BPTPN1
SCHEMBL11057549 0.70 KDM4C (0.44) 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