SCHEMBL8477016

SCHEMBL8477016

CCC(O)Oc1cc(C)cc(OS(=O)(=O)c2cc(F)ccc2C)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.37
MEP1B Q16820 1/20 0.37
KAT6A Q92794 2/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PRSS2 P07478 2/20 0.34
CTRC Q99895 3/20 0.34

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
SCHEMBL8482817 0.89 F2 (0.39) F2ALDH1A1MAPTPRSS2CTRC
SCHEMBL8479862 0.82 ALPL (0.48) F2ALDH1A1
SCHEMBL8482545 0.81 F2 (0.44) F2
SCHEMBL8476368 0.80 F2 (0.33) F2MEP1BALDH1A1MAPTCTRC
SCHEMBL5672913 0.80 KMT2A (0.42) F2MEP1BKAT6AALDH1A1MAPT
SCHEMBL8481378 0.80 F2 (0.56) F2PRSS2CTRC
SCHEMBL8479188 0.79 F2 (0.56) F2PRSS2CTRC
SCHEMBL8477571 0.78 F2 (0.56) F2PRSS2CTRC
SCHEMBL5674299 0.78 F2 (0.47) F2PRSS2CTRC
SCHEMBL8477294 0.78 F2 (0.57) 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