SCHEMBL12019102

SCHEMBL12019102

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
EPHX2 P34913 5/20 0.32
LMNA P02545 1/20 0.32
SCN9A Q15858 2/20 0.31
PRKCA P17252 1/20 0.31
TSHR P16473 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
SCHEMBL12657984 0.82 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL13849597 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL11991781 0.80 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL12019103 0.80 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL11991258 0.80 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL10279741 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL11991790 0.77 PPM1B (0.39) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL11991783 0.75 CNR2 (0.38) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16063231 0.75 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL12705315 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1CA12

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
EP-2492747-A2 Chemically amplified negative resist composition and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2012-08-29 EP disclosed
EP-2101217-A1 Sulfonium salt-containing polymer, resist compositon, and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2009-09-16 EP disclosed