SCHEMBL7948600

SCHEMBL7948600

COC(=O)COc1cccc2c(CCBr)c(C)oc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.39
PTGIR P43119 7/20 0.39
KDM4E B2RXH2 6/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
P2RY12 Q9H244 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
PLA2G2A P14555 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL7948857 0.88 TBXA2R (0.50) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7956157 0.77 TBXA2R (0.58) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7948850 0.71 TBXA2R (0.46) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7958516 0.71 PTGIR (0.56) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7963101 0.70 TBXA2R (0.52) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7959173 0.70 MAOA (0.43) TBXA2RPTGIRKDM4ENPC1ALDH1A1
SCHEMBL7958863 0.70 TBXA2R (0.51) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL7948722 0.70 TBXA2R (0.56) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL8053215 0.70 PTGIR (0.48) TBXA2RPTGIRKDM4EALDH1A1HPGD
SCHEMBL8630663 0.69 KDM4E (0.50) KDM4ENPC1ALDH1A1HPGDSMN1; SMN2

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