SCHEMBL5606541

SCHEMBL5606541

Cc1ccc(C(=O)C(C)(C)O)cc1CNCCc1cccc(C(=O)C(C)(C)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
PKM P14618 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3672300 0.83 EPHX2 (0.37) MEN1KMT2ANR1H4NPC1RAB9A
SCHEMBL5606544 0.77 HPGD (0.35) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL15197916 0.76 MEP1B (0.48) HDAC1MEN1KMT2ANR1H4CYP4F2
SCHEMBL14700247 0.76 PDCD1 (0.46) CA1CA2MEN1KMT2ANR1H4
SCHEMBL15197897 0.72 NR1H4 (0.46) NR1H4KDM4ECYP4F2CYP4A11HDAC8
SCHEMBL3676253 0.72 PKM (0.46) CA2PKMNR1H4TDP1LMNA
SCHEMBL15197912 0.71 CYP2D6 (0.46) HDAC1CA1CA2NR1H4CA9
SCHEMBL14686042 0.70 PRSS1 (0.49) NR1H4CYP4F2CYP4A11NPC1RAB9A
SCHEMBL31229898 0.70 PRSS1 (0.49) NR1H4CYP4F2CYP4A11NPC1RAB9A
SCHEMBL27761506 0.70 CA1 (0.50) CA1CA2CA12CA9SLC6A5

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
EP-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO disclosed