SCHEMBL28036375

SCHEMBL28036375

CCCc1ccc(O)c(C)c1Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GPR55 Q9Y2T6 2/20 0.43
CNR1 P21554 1/20 0.43
GAA P10253 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HTT P42858 3/20 0.41
MAPK1 P28482 2/20 0.41
ALOX12 P18054 2/20 0.41
USP2 O75604 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
TYR P14679 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL28036404 0.91 TYR (0.49) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL28036390 0.87 KDM4E (0.48) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL2867827 0.83 PRKCI (0.45) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL982658 0.81 KDM4E (0.38) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL983636 0.81 IAPP (0.41) KDM4EGAANPSR1HSD17B10MAPK1
SCHEMBL981690 0.81 LTA4H (0.41) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL983363 0.80 TYR (0.43) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL2865457 0.79 KDM4E (0.51) MEN1LMNAMAPTKMT2AKDM4E
SCHEMBL8022512 0.79 LTA4H (0.42) MEN1MAPTKMT2AKDM4EGAA
SCHEMBL2352866 0.79 TYR (0.45) MEN1LMNAMAPTKMT2AKDM4E

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
CN-105102422-A Method for producing isocyanate ASAHI KASEI CHEMICALS CORP 2015-11-25 CN disclosed