SCHEMBL397227

SCHEMBL397227

CCC(C)NS(=O)(=O)c1ccc(C=C(C)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
CNR1 P21554 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
MMP2 P08253 4/20 0.46
MMP1 P03956 3/20 0.46
MMP3 P08254 3/20 0.46
MMP7 P09237 3/20 0.46
MMP9 P14780 3/20 0.46
MMP13 P45452 3/20 0.46
AKR1C3 P42330 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.45
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 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
SCHEMBL397226 1.00 ALDH1A1 (0.46) ALDH1A1LMNAHTTMAPTCNR1
SCHEMBL395827 0.85 AKR1C3 (0.44) ALDH1A1LMNAHTTMAPTCNR1
SCHEMBL395828 0.85 AKR1C3 (0.44) ALDH1A1LMNAHTTMAPTCNR1
SCHEMBL396595 0.80 ALDH1A1 (0.52) ALDH1A1LMNAAKR1C3SMN1; SMN2POLB
SCHEMBL396596 0.80 ALDH1A1 (0.52) ALDH1A1LMNAAKR1C3SMN1; SMN2POLB
SCHEMBL393882 0.80 ALDH1A1 (0.56) ALDH1A1LMNAGPR55AKR1C3SMN1; SMN2
SCHEMBL393883 0.80 ALDH1A1 (0.56) ALDH1A1LMNAGPR55AKR1C3SMN1; SMN2
SCHEMBL395693 0.78 AKR1C3 (0.55) ALDH1A1LMNAHTTAKR1C3SMN1; SMN2
SCHEMBL395694 0.78 AKR1C3 (0.55) ALDH1A1LMNAHTTAKR1C3SMN1; SMN2
SCHEMBL16197361 0.78 TDP1 (0.55) ALDH1A1LMNAHTTMAPTCNR1

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