Sugi Predict

Sugi Predict / Compounds / SCHEMBL15958788

SCHEMBL15958788

SCHEMBL15958788

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL12667099 0.92 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL12674337 0.84 HSD17B10 (0.36) ALDH1A1MEN1KMT2ACA2
SCHEMBL12674679 0.81 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL12674341 0.80 — —
SCHEMBL12674667 0.79 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL15082954 0.78 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL12674173 0.78 CA12 (0.35) CA12CA1
SCHEMBL12667104 0.76 HSD17B10 (0.36) ALDH1A1MEN1KMT2ASCN9ACA2
SCHEMBL12667136 0.74 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL12674253 0.74 CA12 (0.33) CA12CA1

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-8808961-B2 Composition, resist film, pattern forming method, and inkjet recording method FUJIFILM CORPORATION (JP) 2014-08-19 — — US disclosed
Send feedback