SCHEMBL7960429

SCHEMBL7960429

Oc1cccc2c(CCOCc3ccccc3)coc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2B P41595 1/20 0.37
PTGIR P43119 7/20 0.36
TBXA2R P21731 4/20 0.36
PSMB8 P28062 1/20 0.34
PSMB5 P28074 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
SCHEMBL7958811 0.87 MEN1 (0.41) DAOKDM4ETSHRLMNATP53
SCHEMBL7956750 0.79 PTGIR (0.61) KDM4ETDP1ALDH1A1POLBSMN1; SMN2
SCHEMBL7958890 0.75 PSMB8 (0.43) L3MBTL1TDP1ALDH1A1LMNAPTGIR
SCHEMBL7737674 0.75 MAPT (0.35) KDM4ETSHRTDP1LMNATP53
SCHEMBL7956749 0.74 PTGIR (0.57) KDM4ETDP1ALDH1A1POLBPTGIR
SCHEMBL7960638 0.73 TBXA2R (0.30) PTGIRTBXA2R
SCHEMBL7962816 0.72 PTGIR (0.37) KDM4ETSHRLMNATP53POLB
SCHEMBL7949002 0.69 SMN1; SMN2 (0.56) KDM4EL3MBTL1TDP1ALDH1A1POLB
SCHEMBL4003505 0.67 KEAP1 (0.59) L3MBTL1TSHRTDP1BCL2L1
1-Naphthol SCHEMBL9673700 0.66 CYP1A2 (0.63) DAOKDM4EL3MBTL1TSHRTDP1

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