SCHEMBL16638142

SCHEMBL16638142

CCC(C)C(=O)NCCc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
STS P08842 3/20 0.41
KMT2A Q03164 3/20 0.40
CA2 P00918 5/20 0.39
CA1 P00915 3/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CXCR2 P25025 1/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL17409241 0.92 GAA (0.51) GAASTSKMT2ACA2CA1
SCHEMBL17409193 0.88 GAA (0.55) GAASTSKMT2ACA2CA1
SCHEMBL18219815 0.88 GAA (0.55) GAASTSKMT2ACA2CA1
SCHEMBL17358332 0.86 CXCR2 (0.36) GAASTSCA2CA1CXCR2
SCHEMBL12398788 0.85 CXCR2 (0.36) GAASTSCXCR2SMN1; SMN2POLB
SCHEMBL9963796 0.84 STS (0.46) STSKMT2ACA2CA1ALDH1A1
SCHEMBL105141 0.84 STS (0.43) STSKMT2ACA2CA1CA12
SCHEMBL1436768 0.83 STS (0.42) STSKMT2ACA2CA1CA12
SCHEMBL12040232 0.81 CXCR2 (0.36) GAASTSCXCR2ALDH1A1
SCHEMBL17953183 0.79 STS (0.41) GAASTSCA2CA1CXCR2

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-9005870-B2 Actinic-ray- or radiation-sensitive resin composition and method of forming pattern using the composition FUJIFILM CORPORATION (JP) 2015-04-14 US disclosed