SCHEMBL14865002

SCHEMBL14865002

CCCCn1c(CCC(=O)O)ccc1-c1ccc(OC)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.86
ALDH1A1 P00352 15/20 0.86
MAPT P10636 8/20 0.86
HSD17B10 Q99714 7/20 0.86
ALOX15 P16050 6/20 0.86
GAA P10253 5/20 0.86
HPGD P15428 5/20 0.86
POLB P06746 4/20 0.86
MEN1 O00255 3/20 0.86
KMT2A Q03164 3/20 0.86
CASP1 P29466 3/20 0.86
USP2 O75604 2/20 0.86
CASP7 P55210 2/20 0.86
LMNA P02545 1/20 0.86
ALOX12 P18054 1/20 0.86
NPSR1 Q6W5P4 1/20 0.86
GLA P06280 2/20 0.69
MAPK1 P28482 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.62
PKM P14618 1/20 0.58

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
SCHEMBL14865018 0.90 KDM4E (0.85) KDM4EALDH1A1MAPTHSD17B10ALOX15
SCHEMBL20248187 0.85 ALDH1A1 (0.85) KDM4EALDH1A1MAPTHSD17B10ALOX15
SCHEMBL19275255 0.85 ALDH1A1 (0.77) KDM4EALDH1A1MAPTHSD17B10ALOX15
SCHEMBL9763051 0.76 ALDH1A1 (0.76) KDM4EALDH1A1MAPTHSD17B10ALOX15
SCHEMBL14865000 0.76 KDM4E (1.00) KDM4EALDH1A1MAPTHSD17B10ALOX15
SCHEMBL20248152 0.75 ALDH1A1 (0.69) KDM4EALDH1A1MAPTHSD17B10ALOX15
SCHEMBL19270610 0.75 ALDH1A1 (0.79) KDM4EALDH1A1MAPTHSD17B10ALOX15
SCHEMBL14865007 0.73 MAPT (1.00) KDM4EALDH1A1MAPTHSD17B10ALOX15
SCHEMBL7226330 0.73 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHSD17B10ALOX15
SCHEMBL14865047 0.72 MAPT (1.00) KDM4EALDH1A1MAPTHSD17B10ALOX15

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-2581451-A1 Compounds for inhibiting mammalian s-nitrosoglutathione reductase Indiana University Research and Technology Corporation (US) 2013-04-17 EP disclosed