SCHEMBL9293180

SCHEMBL9293180

CCc1cc2c(cc1C)CCC(=O)O2.CCc1ccc(C)c2c1OC(=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.40
ALDH3A1 P30838 1/20 0.40
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6836989 0.85 KDM4E (0.35) MAOBKDM4ECYP1A2GLACYP2C9
SCHEMBL6832714 0.85 ALDH2 (0.51) ALDH2ALDH3A1MAOB
SCHEMBL6832877 0.79 ALDH2 (0.51) ALDH2ALDH3A1MAOB
SCHEMBL6836372 0.73 KDM4E (0.35) MAOBKDM4ECYP1A2GLACYP2C9
SCHEMBL9293486 0.71 KDM4E (0.39) ALDH2ALDH3A1MAOBKDM4ECYP1A2
SCHEMBL6835949 0.71 TSHR (0.40) ALDH2ALDH3A1MAOBKDM4ECYP1A2
SCHEMBL6836680 0.71 ALDH2 (0.58) ALDH2ALDH3A1MAOBKDM4ECYP1A2
SCHEMBL6836880 0.68 KDM4E (0.46) ALDH2ALDH3A1MAOBKDM4ECYP1A2
SCHEMBL6838797 0.68 KDM4E (0.46) ALDH2ALDH3A1KDM4ECYP1A2GLA
SCHEMBL6835901 0.68 KDM4E (0.35) ALDH2ALDH3A1MAOBKDM4ECYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300662-A Process for producing coumarin and derivatives thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-04-05 US disclosed