SCHEMBL8123750

SCHEMBL8123750

O=c1oc2cc(O)c(O)cc2c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
MAPT P10636 4/20 0.58
HPGD P15428 2/20 0.58
CASP7 P55210 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MCL1 Q07820 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 1/20 0.58
CYP19A1 P11511 1/20 0.58
ALOX15 P16050 1/20 0.58
ALOX12 P18054 1/20 0.58
CASP1 P29466 1/20 0.58
AKR1B1 P15121 1/20 0.58
ERAP1 Q9NZ08 1/20 0.56
ESR1 P03372 3/20 0.55
ESR2 Q92731 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
GAA P10253 2/20 0.55
RECQL P46063 2/20 0.55

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
SCHEMBL8118207 0.86 ERAP1 (0.72) KDM4EMAPTHPGDCASP7HSD17B10
SCHEMBL5082203 0.82 ESR1 (0.82) KDM4EMAPTHPGDCASP7HSD17B10
SCHEMBL31675834 0.82 ESR1 (0.82) KDM4EMAPTHPGDCASP7HSD17B10
SCHEMBL3366067 0.80 ESR1 (0.88) KDM4EMAPTHPGDCASP7HSD17B10
SCHEMBL8934513 0.80 ESR1 (0.88) KDM4EMAPTHPGDCASP7HSD17B10
SCHEMBL1800595 0.77 CA1 (0.56) KDM4EMAPTHPGDCASP7HSD17B10
SCHEMBL29588932 0.76 MEN1 (0.76) KDM4EMAPTHPGDCASP7HSD17B10
SCHEMBL2860609 0.76 MEN1 (0.76) KDM4EMAPTHPGDCASP7HSD17B10
SCHEMBL7119204 0.75 CA1 (0.62) KDM4EAKR1B1ESR1ESR2KMT2A
SCHEMBL7124757 0.75 GABRP (0.59) MAPTSMN1; SMN2TP53ALOX12CASP1

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
EP-0645382-B1 COUMARIN DERIVATIVE AND USE THEREOF MORINAGA MILK INDUSTRY CO LTD (JP) 2000-07-12 EP disclosed
US-5574062-A COMPOUNDS HAVE 3-ARYL AND 7-HYDROXY OR -ACYLOXY; USE TO INHIBIT 12-LIPOXYGENASE MORINAGA MILK INDUSTRY CO., LTD. (JP) 1996-11-12 US disclosed
EP-0645382-A1 COUMARIN DERIVATIVE AND USE THEREOF MORINAGA MILK INDUSTRY CO., LTD. (JP) 1995-03-29 EP disclosed