SCHEMBL13617348

SCHEMBL13617348

CCn1cc(C)cc(C(=O)O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ABCC4 O15439 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CSNK2A1 P68400 1/20 0.39
BRD4 O60885 1/20 0.39
PDE10A Q9Y233 6/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL19768916 0.81 CNR1 (0.43) LMNAMEN1KMT2AABCC4PKM
SCHEMBL11610011 0.79 BRD4 (0.56) LMNAMEN1KMT2APKMALDH1A1
SCHEMBL24666193 0.76 MAPT (0.40) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20326799 0.76 MEN1 (0.43) MEN1KMT2APKMKDM4EALDH1A1
SCHEMBL2495583 0.76 GPR35 (0.39) LMNAMEN1KMT2AABCC4PKM
SCHEMBL12659545 0.75 RAPGEF4 (0.36) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11607380 0.74 KDM4E (0.47) LMNAKMT2AKDM4EALDH1A1CYP1A2
SCHEMBL8496458 0.74 PTGER3 (0.53) LMNABRD4MAPTHTT
SCHEMBL12659546 0.73 PDE10A (0.33) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL1548236 0.73 LMNA (0.49) LMNAKDM4EALDH1A1HPGDHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed