SCHEMBL8012010

SCHEMBL8012010

Cc1ccc(-c2cc(C(=O)O)cc(C(=O)N3CCCC3)c2)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
HPGD P15428 7/20 0.48
KDM1A O60341 1/20 0.45
HSD11B1 P28845 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.40
PLA2G7 Q13093 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHODH Q02127 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL8008718 0.87 KDM4E (0.46) KDM4EHPGDKDM1AHSD11B1NPC1
SCHEMBL8009395 0.85 CYP46A1 (0.39) KDM1AHSD17B10DHODHALDH1A1
SCHEMBL1495477 0.82 HPGD (0.45) KDM4EHPGDKDM1ANPC1RAB9A
SCHEMBL1495462 0.81 HPGD (0.55) KDM4EHPGDKDM1ANPC1RAB9A
SCHEMBL2760988 0.80 HPGD (0.58) KDM4EHPGDKDM1ANPC1RAB9A
SCHEMBL16418278 0.80 HPGD (0.58) KDM4EHPGDKDM1ANPC1RAB9A
SCHEMBL2761212 0.79 DHODH (0.52) KDM4EHPGDKDM1ANPC1RAB9A
SCHEMBL27967936 0.77 PLA2G7 (0.61) HPGDNPC1RAB9AKMT2AMAPK1
SCHEMBL8005875 0.76 TDP1 (0.44) KDM4EHPGDNPC1RAB9AMAPK1
SCHEMBL1495746 0.75 HPGD (0.48) KDM4EHPGDNPC1RAB9AKMT2A

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-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO disclosed