SCHEMBL8480896

SCHEMBL8480896

Cc1cc(OCCCO)cc(OS(=O)(=O)c2cccc(C#N)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.53
P2RY2 P41231 1/20 0.43
GPR17 Q13304 1/20 0.43
PRSS2 P07478 2/20 0.41
CTRC Q99895 2/20 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
SCHEMBL5673584 0.86 F2 (0.63) F2PRSS2CTRC
SCHEMBL5675983 0.86 F2 (0.53) F2P2RY2GPR17
SCHEMBL5674507 0.83 F2 (0.57) F2PRSS2CTRC
SCHEMBL5676007 0.83 F2 (0.55) F2PRSS2CTRC
SCHEMBL5674472 0.83 F2 (0.55) F2PRSS2CTRC
SCHEMBL5675825 0.81 P2RY2 (0.47) F2P2RY2GPR17
SCHEMBL8479866 0.80 P2RY2 (0.46) F2P2RY2GPR17
SCHEMBL8480903 0.79 F2 (0.42) F2P2RY2GPR17
SCHEMBL5672793 0.79 F2 (0.73) F2PRSS2CTRC
Hydrochloric Acid SCHEMBL6926945 0.78 F2 (0.71) F2PRSS2CTRC

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-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed