SCHEMBL7355774

SCHEMBL7355774

COC(=O)CCc1c(C(=O)OC(C)(C)C)[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.60
SRC P12931 3/20 0.60
ALDH1A1 P00352 4/20 0.50
HTR6 P50406 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR1F P30939 1/20 0.48
HTR7 P34969 1/20 0.48
DRD3 P35462 1/20 0.48
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46

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
SCHEMBL9218524 0.82 GABRA1 (0.52) EGFRALDH1A1HTR6KDM4EHTR1A
SCHEMBL7359271 0.81 HTR6 (0.51) ALDH1A1HTR6KDM4EHTR1ADRD2
SCHEMBL3280964 0.81 EGFR (0.57) EGFRSRCALDH1A1HTR6KDM4E
SCHEMBL27905352 0.81 EGFR (0.58) EGFRSRCALDH1A1KDM4EGABRP
SCHEMBL9223733 0.81 GABRA1 (0.51) EGFRALDH1A1HTR6KDM4EHTR1A
SCHEMBL5268569 0.78 HTR6 (0.70) EGFRSRCALDH1A1HTR6KDM4E
SCHEMBL7127236 0.78 EGFR (0.71) EGFRSRCALDH1A1HTR6KDM4E
SCHEMBL25757058 0.78 EGFR (0.54) EGFRSRCMAPT
SCHEMBL30688567 0.77 NR4A2 (0.60) ALDH1A1KDM4EGABRPGABRDGABRA1
SCHEMBL27478799 0.77 EGFR (0.69) EGFRSRCALDH1A1HTR6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091945-A1 CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2001-04-18 EP disclosed
WO-2000000481-A1 CYCLIC CARBAMATES AND ISOXAZOLIDINES AS IIB/IIIA ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-06 WO disclosed