SCHEMBL7974477

SCHEMBL7974477

COC1=C(OC)C(=O)C2=C(CCC(CCOc3ccc(C(=O)O)cc3)CC2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PLA2G4B P0C869 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RARB P10826 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL7974787 0.87 TEAD1 (0.45) NPC1RAB9A
SCHEMBL7971449 0.87 MAOB (0.44) RAB9A
SCHEMBL7974701 0.86 L3MBTL1 (0.47) KMT2ARAB9A
SCHEMBL7971414 0.85 PPARD (0.43) ITGB3ITGA2B
SCHEMBL7974650 0.85 MGAT2 (0.42) MEN1KMT2ASMN1; SMN2
SCHEMBL7961113 0.84 HPGD (0.42) KMT2APOLBITGB3ITGA2B
SCHEMBL7961502 0.84 MAOB (0.40) MEN1KMT2A
SCHEMBL7974962 0.84 MAOB (0.40) NPC1RAB9A
SCHEMBL7974712 0.83 ALDH1A1 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7974717 0.82 PKM (0.48) PKMMAPK1TSHRTP53PLA2G4B

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-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed
EP-0968164-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-01-05 EP disclosed
WO-1998033758-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-06 WO disclosed