SCHEMBL5942019

SCHEMBL5942019

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
TGM2 P21980 1/20 0.39
EPHX1 P07099 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
SCN9A Q15858 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL4118290 0.85 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL4865784 0.84 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL4855432 0.81 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL22846179 0.81 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL10150822 0.81 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL4111547 0.80 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL20349638 0.79 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL3797993 0.79 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL4105787 0.79 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4858798 0.79 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060073411-A1 Chemically amplified resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-04-06 US disclosed
US-20040191674-A1 Chemical amplification resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-30 US disclosed