SCHEMBL21397010

SCHEMBL21397010

CC(C(=O)OCCC12CC3CC(CC(C3)C1)C2)(C(=O)OCCC12CC3CC(CC(C3)C1)C2)S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.51
KMT2A Q03164 8/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ATM Q13315 1/20 0.49
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
SCN9A Q15858 3/20 0.39
EPHX2 P34913 3/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL17740622 0.83 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL27437514 0.83 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL686566 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL685799 0.80 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL16744373 0.79 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL21398831 0.78 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL19325399 0.76 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL15014459 0.76 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL18467690 0.75 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL21396994 0.75 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTL3MBTL1

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