SCHEMBL395827

SCHEMBL395827

CCC(C)NS(=O)(=O)c1cccc(/C=C(\C)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TBXAS1 P24557 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38

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
SCHEMBL395828 1.00 AKR1C3 (0.44) AKR1C3SMN1; SMN2NPSR1ALDH1A1LMNA
SCHEMBL396101 0.87 AKR1C3 (0.49) AKR1C3NPSR1ALDH1A1TBXAS1SLC1A3
SCHEMBL396102 0.87 AKR1C3 (0.49) AKR1C3NPSR1ALDH1A1TBXAS1SLC1A3
SCHEMBL397226 0.85 ALDH1A1 (0.46) AKR1C3SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL397227 0.85 ALDH1A1 (0.46) AKR1C3SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL392886 0.82 AKR1C3 (0.49) AKR1C3ALDH1A1LMNAMAPTKMT2A
SCHEMBL392887 0.82 AKR1C3 (0.49) AKR1C3ALDH1A1LMNAMAPTKMT2A
SCHEMBL396715 0.81 AKR1C3 (0.45) AKR1C3SMN1; SMN2ALDH1A1LMNACYP2C19
SCHEMBL396714 0.81 AKR1C3 (0.45) AKR1C3SMN1; SMN2ALDH1A1LMNACYP2C19
SCHEMBL398494 0.80 AKR1C3 (0.53) AKR1C3LMNAMAPTTBXAS1

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
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