SCHEMBL8545908

SCHEMBL8545908

C=C(CCNC(=O)Nc1ccc(S(=O)(=O)O)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.47
TIMP3 P35625 1/20 0.46
GHSR Q92847 1/20 0.45
CA1 P00915 9/20 0.45
CA7 P43166 5/20 0.45
CA12 O43570 6/20 0.44
CA9 Q16790 6/20 0.44
CA4 P22748 4/20 0.44
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA5A P35218 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL8549863 0.92 GHSR (0.49) CA2TIMP3GHSRCA1CA7
SCHEMBL7094785 0.88 CA2 (0.62) CA2CA1CA7CA12CA9
SCHEMBL5682291 0.82 MAOA (0.50) CA2CA1CA7CA12CA9
SCHEMBL2314772 0.82 EPHX1 (0.55) CA2CA1CA12CA9ALDH1A1
SCHEMBL8550324 0.81 ALDH1A1 (0.56) CA2CA1CA7CA12CA9
SCHEMBL15913775 0.80 CA2 (0.61) CA2CA1CA7CA12CA9
SCHEMBL28804298 0.78 TIMP3 (0.51) CA2TIMP3CA1CA7CA12
SCHEMBL2237869 0.78 TIMP3 (0.55) CA2TIMP3GHSRCA1CA7
SCHEMBL8549784 0.78 S1PR1 (0.40) CA2CA4ALDH1A1KDM4ECA5A
SCHEMBL7097155 0.76 LMNA (0.51) ALDH1A1KDM4ELMNA

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-5731127-A WEAR RESISTANCE, SOLVENT RESISTANCE DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-03-24 US disclosed
EP-0737896-A2 Photosensitive composition and photosensitive planographic printing plate DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-10-16 EP disclosed