SCHEMBL393883

SCHEMBL393883

CC(=Cc1ccc(S(=O)(=O)NCC(C)C)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
AKR1C3 P42330 1/20 0.46
HDAC1 Q13547 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
PDK1 Q15118 2/20 0.45
PDK2 Q15119 2/20 0.45
PDK3 Q15120 2/20 0.45
PDK4 Q16654 2/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
GPR55 Q9Y2T6 1/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL393882 1.00 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1SMN1; SMN2CA1
SCHEMBL396715 0.84 AKR1C3 (0.45) ALDH1A1LMNAMAPK1SMN1; SMN2CA1
SCHEMBL396714 0.84 AKR1C3 (0.45) ALDH1A1LMNAMAPK1SMN1; SMN2CA1
SCHEMBL396596 0.84 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1SMN1; SMN2AKR1C3
SCHEMBL396595 0.84 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1SMN1; SMN2AKR1C3
SCHEMBL394858 0.82 CA12 (0.53) ALDH1A1LMNAMAPK1SMN1; SMN2CA1
SCHEMBL394857 0.82 CA12 (0.53) ALDH1A1LMNAMAPK1SMN1; SMN2CA1
SCHEMBL397226 0.80 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2CA2AKR1C3
SCHEMBL397227 0.80 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2CA2AKR1C3
SCHEMBL397043 0.80 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101332-B2 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed
US-20090246688-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
EP-2105298-A1 Negative-working lithographic printing plate precursor and method of lithographic printing using same Fujifilm Corporation (JP) 2009-09-30 EP disclosed