SCHEMBL8549863

SCHEMBL8549863

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.49
CA2 P00918 7/20 0.47
CA1 P00915 6/20 0.47
CA7 P43166 5/20 0.47
CA12 O43570 4/20 0.47
CA4 P22748 4/20 0.47
CA9 Q16790 4/20 0.47
CA5A P35218 3/20 0.47
CA14 Q9ULX7 3/20 0.47
LMNA P02545 1/20 0.45
EPHX1 P07099 4/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
TIMP3 P35625 1/20 0.44
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL8545908 0.92 CA2 (0.47) GHSRCA2CA1CA7CA12
SCHEMBL15913775 0.88 CA2 (0.61) CA2CA1CA7CA12CA4
SCHEMBL4942260 0.83 MAOA (0.47) LMNAEPHX1ALDH1A1HTTKMT2A
SCHEMBL8549833 0.83 EPHX1 (0.60) CA2CA1CA7CA12CA4
SCHEMBL8550840 0.82 ALDH1A1 (0.60) CA2CA1CA7CA12CA4
SCHEMBL7097155 0.82 LMNA (0.51) LMNAEPHX1ALDH1A1HTTKMT2A
SCHEMBL8550250 0.82 EPHX2 (0.50) LMNAEPHX1ALDH1A1HTTKMT2A
SCHEMBL7096381 0.81 EPHX1 (0.50) GHSRLMNAEPHX1ALDH1A1HTT
SCHEMBL7094785 0.80 CA2 (0.62) CA2CA1CA7CA12CA4
SCHEMBL13724331 0.79 GHSR (0.51) GHSRCA2CA1CA7CA12

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