SCHEMBL14950873

SCHEMBL14950873

O=C(OCCC(F)(F)C(F)(F)S(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP17A1 P05093 2/20 0.41
CYP19A1 P11511 2/20 0.41
PRKCA P17252 1/20 0.40
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL14770346 0.82 NPSR1 (0.40) ALDH1A1NPSR1MAPTKMT2AMEN1
SCHEMBL14055175 0.81 CYP17A1 (0.43) ALDH1A1NPSR1MAPTKMT2AMEN1
SCHEMBL8798343 0.81 NPSR1 (0.44) ALDH1A1NPSR1MAPTKMT2AMEN1
SCHEMBL12204990 0.81 ALDH1A1 (0.43) ALDH1A1NPSR1MAPTKMT2AMEN1
SCHEMBL27436705 0.81 NPSR1 (0.49) ALDH1A1NPSR1MAPTKMT2AMEN1
SCHEMBL26313033 0.80 ALDH1A1 (0.44) ALDH1A1NPSR1MAPTKMT2AMEN1
SCHEMBL14950167 0.79 ALDH1A1 (0.44) ALDH1A1NPSR1MAPTKMT2AMEN1
SCHEMBL16214840 0.79 ALDH1A1 (0.41) ALDH1A1NPSR1MAPTKMT2AMEN1
SCHEMBL16807402 0.78 NPSR1 (0.47) ALDH1A1NPSR1MAPTKMT2AMEN1
SCHEMBL8894707 0.78 ALDH1A1 (0.40) ALDH1A1NPSR1MAPTKMT2AMEN1

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
WO-2013069813-A1 PATTERN FORMING METHOD, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, MANUFACTURING METHOD OF ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2013-05-16 WO disclosed