SCHEMBL8476368

SCHEMBL8476368

Cc1cc(OC(C)C=O)cc(OS(=O)(=O)c2cc(F)ccc2C)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
MEP1B Q16820 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTRC Q99895 1/20 0.32
CASP1 P29466 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8483180 0.89 F2 (0.38) F2ALDH1A1MAPTKMT2AHTT
SCHEMBL8480761 0.82 F2 (0.41) F2
SCHEMBL8477625 0.82 ALPL (0.48) F2ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL8477016 0.80 F2 (0.37) F2ALDH1A1MAPTMEP1BCTRC
SCHEMBL8481232 0.79 F2 (0.49) F2CTRC
SCHEMBL8481882 0.79 F2 (0.52) F2ALDH1A1SMN1; SMN2CTRCCASP1
SCHEMBL5672913 0.78 KMT2A (0.42) F2ALDH1A1MAPTMEP1BKMT2A
SCHEMBL5672979 0.78 F2 (0.46) F2CTRC
SCHEMBL8477586 0.77 F2 (0.55) F2CTRCCASP1
SCHEMBL8480305 0.77 F2 (0.53) F2CTRC

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