SCHEMBL7948863

SCHEMBL7948863

COC(=O)c1oc2c(OC)cccc2c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RECQL P46063 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL10372271 0.86 MAOA (0.48) MAOAKDM4EALDH1A1LMNANPC1
SCHEMBL10372246 0.86 EDNRA (0.50) MAOAKDM4EALDH1A1LMNANPC1
SCHEMBL11700179 0.86 KDM4E (0.49) MAOAKDM4EALDH1A1LMNANPC1
SCHEMBL11128849 0.85 ALDH1A1 (0.51) MAOAKDM4EALDH1A1LMNANPC1
SCHEMBL22442134 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL10394723 0.82 POLB (0.45) KDM4EALDH1A1RAB9AHPGDKMT2A
SCHEMBL10372530 0.79 KLKB1 (0.45) MAOAKDM4EALDH1A1LMNANPC1
SCHEMBL6241371 0.78 CTSD (0.48) MAOAKDM4EALDH1A1LMNANPC1
SCHEMBL27283282 0.78 KDM4E (0.43) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL6242920 0.77 EDNRA (0.50) MAOAKDM4EALDH1A1LMNANPC1

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