SCHEMBL12423013

SCHEMBL12423013

CCC(C)(C)OCC(C)(C)Oc1ccc2[nH]c(C(=O)O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
SRD5A2 P31213 1/20 0.50
PIN1 Q13526 1/20 0.47
GAA P10253 1/20 0.46
PLA2G4A P47712 1/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDGFRB P09619 3/20 0.45
PDGFRA P16234 3/20 0.45
SMAD3 P84022 1/20 0.45
TSHR P16473 2/20 0.44

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
SCHEMBL12423825 0.83 KMT2A (0.51) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5473546 0.83 KMT2A (0.56) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12423015 0.79 KDM4E (0.65) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2931171 0.75 KDM4E (0.71) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4371734 0.75 PDGFRB (0.71) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13173589 0.74 PLA2G4A (0.56) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL335235 0.73 PDGFRB (0.79) KMT2AKDM4EALDH1A1HPGDCYP1A2
SCHEMBL4369016 0.73 PLA2G4A (0.67) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1144832 0.73 KDM4E (0.65) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12422884 0.73 KDM4E (0.62) KMT2AKDM4EALDH1A1HPGDHSD17B10

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
WO-2011103559-A1 OLIGOMER MODIFIED DIAROMATIC SUBSTITUTED COMPOUNDS NEKTAR THERAPEUTICS (US) 2011-08-25 WO disclosed