SCHEMBL5810012

SCHEMBL5810012

Cc1c(C)n(Cc2ccccc2)c2c(OCCC(C)C)nccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.47
DYRK1A Q13627 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NR2F2 P24468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 3/20 0.36
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MCL1 Q07820 1/20 0.35
PPARG P37231 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
IDH1 O75874 1/20 0.34

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
Hydrochloric Acid SCHEMBL5808518 0.99 FABP4 (0.46) FABP4DYRK1AMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5808982 0.90 MCL1 (0.36) FABP4MEN1KMT2ATSHRMCL1
Hydrochloric Acid SCHEMBL5806190 0.89 KDM4E (0.36) FABP4MEN1KMT2AKDM4EHTT
Hydrochloric Acid SCHEMBL5809817 0.88 MAPT (0.41) FABP4MEN1KMT2AKDM4EMAPK1
SCHEMBL5811300 0.88 FABP4 (0.46) FABP4DYRK1AMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5810285 0.88 FABP4 (0.38) FABP4MEN1KMT2ATSHRPOLB
Hydrochloric Acid SCHEMBL5807342 0.88 CYP1A2 (0.38) FABP4MEN1KMT2ARAB9AKDM4E
Hydrochloric Acid SCHEMBL5806428 0.87 FABP4 (0.45) FABP4DYRK1AMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5806984 0.87 MAPT (0.39) FABP4KDM4EHTTPTGDR2
Hydrochloric Acid SCHEMBL5810926 0.86 MAPT (0.38) FABP4MEN1KMT2AKDM4ETSHR

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-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed