SCHEMBL8546388

SCHEMBL8546388

CC(=CCCNC(=O)Nc1cc(-c2ccccc2)ccc1O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.56
KDM4E B2RXH2 1/20 0.56
APOBEC3A P31941 1/20 0.56
GFER P55789 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
HDAC2 Q92769 1/20 0.49
PDPK1 O15530 1/20 0.45
AKT1 P31749 1/20 0.45
HDAC3 O15379 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 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
SCHEMBL8546383 1.00 HDAC1 (0.56) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL7098351 0.92 HDAC1 (0.53) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL7098355 0.92 HDAC1 (0.53) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL7097491 0.85 GAA (0.46) KDM4ECA12CA1CA2CA9
SCHEMBL7097494 0.85 GAA (0.46) KDM4ECA12CA1CA2CA9
SCHEMBL7097509 0.84 GAA (0.48) CA12CA1CA2CA9
SCHEMBL7097507 0.84 GAA (0.48) CA12CA1CA2CA9
SCHEMBL8551365 0.81 GOT1 (0.49)
SCHEMBL8551371 0.81 GOT1 (0.49)
SCHEMBL28804384 0.79 HDAC1 (0.63) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G

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