SCHEMBL7093746

SCHEMBL7093746

C=C(CCCCNC(=O)Nc1ccccc1O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.50
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 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
SCHEMBL7096384 0.99 HDAC1 (0.49) MARS1HDAC3HDAC1KMT2ALMNA
SCHEMBL7097492 0.96 MARS1 (0.51) MARS1HDAC3HDAC1KMT2ALMNA
SCHEMBL7097365 0.90 ITGB3 (0.51) MARS1KMT2ALMNAITGB3ITGAV
SCHEMBL7097143 0.87 TRPV1 (0.44) MARS1KMT2ALMNAALDH1A1EPHX1
SCHEMBL7099945 0.86 NPY5R (0.45) HDAC3HDAC1KMT2AALDH1A1HDAC4
SCHEMBL7094061 0.85 HDAC1 (0.51) HDAC3HDAC1HDAC2EPHX1
SCHEMBL7098354 0.84 HDAC1 (0.50) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL7097415 0.83 TRPV1 (0.45) MARS1KMT2ALMNAITGB3ITGAV
SCHEMBL7099322 0.82 GAA (0.52) HDAC3HDAC1KMT2AITGB3ITGAV
SCHEMBL7098733 0.81 HDAC1 (0.52) HDAC3HDAC1HDAC2

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
EP-0737896-B1 Photosensitive composition and photosensitive planographic printing plate KODAK POLYCHROME GRAPHICS JP (JP) 2003-08-27 EP disclosed
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