SCHEMBL16480458

SCHEMBL16480458

CC1CCCN1C1=CC(=O)CC(C)(C)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
HPGD P15428 1/20 0.57
ALDH1A1 P00352 5/20 0.56
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BRCA1 P38398 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 1/20 0.35
GAA P10253 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MITF O75030 1/20 0.33

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
SCHEMBL9891824 0.81 MAPT (0.53) MAPTHPGDALDH1A1NPSR1LMNA
SCHEMBL9893007 0.81 MAPT (0.53) MAPTHPGDALDH1A1NPSR1LMNA
SCHEMBL1432868 0.80 MAPT (0.38) MAPTHPGDALDH1A1TP53KMT2A
SCHEMBL16480419 0.76 MAPT (0.52) MAPTHPGDALDH1A1TP53KMT2A
SCHEMBL23229431 0.73 MAPT (1.00) MAPTHPGDALDH1A1NPSR1LMNA
SCHEMBL24415299 0.73 MAPT (0.93) MAPTHPGDALDH1A1NPSR1LMNA
SCHEMBL12869178 0.72 ALDH1A1 (1.00) MAPTHPGDALDH1A1NPSR1LMNA
SCHEMBL5970126 0.71 MAPT (0.96) MAPTHPGDALDH1A1NPSR1LMNA
SCHEMBL24415315 0.70 ALDH1A1 (0.72) MAPTHPGDALDH1A1NPSR1LMNA
SCHEMBL12618675 0.68 ALDH1A1 (0.67) MAPTHPGDALDH1A1NPSR1LMNA

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
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed