SCHEMBL16622170

SCHEMBL16622170

O=C(OCC(F)(F)S(=O)(=O)O)C12CC3CC(C1)C(O)[C@H](C3)C2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PRKCA P17252 1/20 0.35
PKM P14618 1/20 0.34
CYP17A1 P05093 2/20 0.34
CYP19A1 P11511 2/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.32
RECQL P46063 1/20 0.30

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
SCHEMBL785727 1.00 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL21653911 0.93 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL12912766 0.92 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL14731097 0.91 ALDH1A1 (0.31) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL14731100 0.90 PRKCA (0.32) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL2610451 0.89 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL1398391 0.88 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL17426479 0.87 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL19607148 0.85 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL17425999 0.85 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1MAPTNPSR1

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-8999630-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-04-07 US disclosed