SCHEMBL8780374

SCHEMBL8780374

CCCCCCCCOc1ccc(OCC(=O)c2cccc3[nH]nnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 15/20 0.46
PLA2G4A P47712 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PTPN11 Q06124 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
SCHEMBL28472895 0.81 HTT (0.46) PTPN11
SCHEMBL717427 0.80 ALDH1A1 (0.59) TP53TSHR
SCHEMBL9601334 0.80 ALDH1A1 (0.59) TP53TSHR
SCHEMBL716141 0.77 TSHR (0.57) TP53TSHR
SCHEMBL30848518 0.74 NR5A1 (0.45) PLA2G4BTSHRPTPN11
SCHEMBL3668740 0.74 NR5A1 (0.45) PLA2G4BTSHRPTPN11
SCHEMBL9483604 0.74 MCHR1 (0.51) TSHR
SCHEMBL30132038 0.74 MCHR1 (0.51) TSHR
SCHEMBL28383663 0.74 MCHR1 (0.51) TSHR
SCHEMBL30060808 0.74 MCHR1 (0.51) TSHR

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
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed