SCHEMBL10280255

SCHEMBL10280255

O=C(OCC(F)F)C1C2CCC(C2)C1C(=O)OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
BPTF Q12830 1/20 0.32
CKS1B P61024 1/20 0.32
SKP2 Q13309 1/20 0.32
SCN9A Q15858 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
PRKCA P17252 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 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
SCHEMBL10279744 0.83 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL11991781 0.81 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL13338794 0.80 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL10279739 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL10279741 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL10239133 0.76 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL11991271 0.74 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL12019041 0.74 HSD11B1 (0.38) ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL12705446 0.72 EPHX2 (0.35) PRKCA
SCHEMBL15115561 0.72 ALDH1A1 (0.34) 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 1 patent. 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