SCHEMBL394859

SCHEMBL394859

C=C(Cc1ccc(S(=O)(=O)NCCC)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 11/20 0.50
MAPT P10636 4/20 0.50
HPGD P15428 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TBXA2R P21731 1/20 0.49
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
MEP1B Q16820 1/20 0.46
NAMPT P43490 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL397044 0.92 LMNA (0.56) CA12CA9ALDH1A1MAPTTBXA2R
SCHEMBL396597 0.88 ALDH1A1 (0.60) ALDH1A1HPGDCYP2C9TBXA2RGAA
SCHEMBL5447486 0.85 TBXA2R (0.65) CA12CA1CA2CA9ALDH1A1
SCHEMBL397724 0.84 AKR1C3 (0.48) CA12CA9ALDH1A1CYP2C19KMT2A
SCHEMBL395695 0.82 SMN1; SMN2 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL398265 0.78 ALDH1A1 (0.49) ALDH1A1MAPTCYP2C9CYP2C19GAA
SCHEMBL397228 0.78 SMN1; SMN2 (0.56) CA12CA2CA9ALDH1A1MAPT
SCHEMBL8490338 0.77 AKR1C3 (0.46)
SCHEMBL397008 0.77 ALDH1A1 (0.49) CA12CA9ALDH1A1CYP2C19TSHR
SCHEMBL396740 0.75 HDAC1 (0.59) CA12CA1CA2CA9ALDH1A1

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