SCHEMBL9580649

SCHEMBL9580649

O=C1C=C(O)C(=O)C(CCCCCC2=C(O)C(=O)C=C(O)C2=O)=C1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.83
MPEG1 Q2M385 10/20 0.83
XIAP P98170 6/20 0.83
GPR84 Q9NQS5 2/20 0.83
KDM4E B2RXH2 1/20 0.83
MEN1 O00255 1/20 0.83
PTGES O14684 1/20 0.83
USP2 O75604 1/20 0.83
ALDH1A1 P00352 1/20 0.83
TP53 P04637 1/20 0.83
CYP2D6 P10635 1/20 0.83
MAPT P10636 1/20 0.83
CYP2C9 P11712 1/20 0.83
HPGD P15428 1/20 0.83
ALOX15 P16050 1/20 0.83
ALOX12 P18054 1/20 0.83
MAPK1 P28482 1/20 0.83
CYP2C19 P33261 1/20 0.83
KMT2A Q03164 1/20 0.83
KAT2B Q92831 1/20 0.83

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
Rapanone SCHEMBL2311835 0.91 ALOX5 (1.00) ALOX5MPEG1XIAPGPR84KDM4E
Embelin SCHEMBL148744 0.91 ALOX5 (1.00) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL12757276 0.91 ALOX5 (1.00) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL6410428 0.89 ALOX5 (0.97) ALOX5MPEG1XIAPGPR84KDM4E
Embelin SCHEMBL4653231 0.85 ALOX5 (0.88) ALOX5MPEG1XIAPGPR84KDM4E
Embelin SCHEMBL21905447 0.82 ALOX5 (0.81) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL12830675 0.82 ALOX5 (0.74) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL9175113 0.77 XIAP (1.00) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL9578683 0.76 ALOX5 (0.88) ALOX5MPEG1
SCHEMBL12757274 0.76 XIAP (1.00) ALOX5MPEG1XIAPGPR84KDM4E

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-5220042-A Antiasthmatics, antiallergens, cardiovasculsr disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-06-15 US disclosed
EP-0151995-B1 NOVEL 1,4-BENZOQUINONE DERIVATIVES AND BENZENE DERIVATIVES, AND PROCESS FOR PREPARING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-12-23 EP disclosed
EP-0151995-A2 Novel 1,4-benzoquinone derivatives and benzene derivatives, and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-08-21 EP disclosed