SCHEMBL7327157

SCHEMBL7327157

Cc1c(OCc2ccccc2)ccc2c(=O)cc(S)oc12

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.63
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.48
SLC26A3 P40879 2/20 0.47

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
SCHEMBL5723325 0.84 P2RY12 (0.62) P2RY12KDM4EALDH1A1HPGDHTT
SCHEMBL7330143 0.83 P2RY12 (0.61) P2RY12KDM4EALDH1A1HPGDHTT
SCHEMBL7316459 0.83 P2RY12 (0.61) P2RY12KDM4EALDH1A1HPGDHTT
SCHEMBL22790797 0.82 P2RY12 (0.60) P2RY12KDM4EALDH1A1HPGDHTT
SCHEMBL7316417 0.81 P2RY12 (0.59) P2RY12KDM4EALDH1A1HPGDHTT
SCHEMBL7330070 0.79 P2RY12 (0.84) P2RY12
SCHEMBL7322128 0.78 P2RY12 (0.83) P2RY12
SCHEMBL7326740 0.78 P2RY12 (1.00) P2RY12
SCHEMBL7326044 0.78 P2RY12 (0.81) P2RY12
SCHEMBL7320050 0.78 P2RY12 (0.85) P2RY12

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-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0459983-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES PHARMACIA & UPJOHN COMPANY (US) 1991-12-11 EP disclosed
WO-1990006921-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1990-06-28 WO disclosed