SCHEMBL21396683

SCHEMBL21396683

O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)CS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 3/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SCN9A Q15858 10/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
EPHX2 P34913 2/20 0.33
TSHR P16473 1/20 0.33
SCN5A Q14524 1/20 0.33

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
SCHEMBL15858353 0.81 ALDH1A1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1CA12
SCHEMBL14670325 0.81 MEN1 (0.50) MEN1KMT2AL3MBTL1ALDH1A1CA12
SCHEMBL12705028 0.79 ALDH1A1 (0.57) MEN1KMT2AL3MBTL1ALDH1A1CA12
SCHEMBL12705039 0.76 ALDH1A1 (0.54) MEN1KMT2AL3MBTL1ALDH1A1CA12
SCHEMBL15858509 0.75 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1ALDH1A1CA12
SCHEMBL17285616 0.75 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1ALDH1A1CA12
SCHEMBL12159399 0.74 ALDH1A1 (0.49) MEN1KMT2AL3MBTL1ALDH1A1CA12
SCHEMBL23808353 0.74 ALDH1A1 (0.42) MEN1KMT2AL3MBTL1ALDH1A1CA12
SCHEMBL17281533 0.74 ALDH1A1 (0.49) MEN1KMT2AL3MBTL1ALDH1A1CA12
SCHEMBL23143142 0.73 ALDH1A1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1CA12

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-20190294042-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2019-09-26 US disclosed