SCHEMBL4372880

SCHEMBL4372880

CC(C)(C)c1ccc(Cn2nc(C3CCCCC3)c(O)c(C(=O)O)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
KMT2A Q03164 1/20 0.45
ADORA1 P30542 7/20 0.41
ADORA3 P0DMS8 3/20 0.41
PTGER4 P35408 3/20 0.40
ADORA2A P29274 2/20 0.39
PPARA Q07869 2/20 0.38
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CNR2 P34972 1/20 0.37
CHRNA7 P36544 1/20 0.37

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
SCHEMBL3846091 0.88 EGLN3 (0.64) EGLN3PTGDR2KMT2A
SCHEMBL3846045 0.87 ALDH1A1 (0.45) EGLN3PTGDR2KMT2AADORA1ADORA3
SCHEMBL3849163 0.79 PTGDR2 (0.50) PTGDR2KMT2AADORA1ADORA3PTGER4
SCHEMBL3846989 0.78 EGLN1 (0.57) EGLN3PTGDR2PTGER4
SCHEMBL3854700 0.76 MAPK1 (0.50) ADORA1ADORA3ADORA2AKDM4ECHRNA7
SCHEMBL3845670 0.74 EGLN1 (0.50) EGLN3ADORA1ADORA3ADORA2ACNR2
SCHEMBL3849218 0.73 SMN1; SMN2 (0.45) KMT2AADORA1ADORA3ADORA2AKDM4E
SCHEMBL3848043 0.72 EGLN3 (0.48) EGLN3ADORA1ADORA3CNR2
SCHEMBL3849583 0.67 SMN1; SMN2 (0.48) KMT2AKDM4ECNR2
SCHEMBL3846940 0.67 EGLN3 (0.72) EGLN3PTGDR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124565-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
WO-2008089052-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed