SCHEMBL11115597

SCHEMBL11115597

CC1C[N]CCN1CCC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
NOTUM Q6P988 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CCKBR P32239 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
HRH2 P25021 1/20 0.38

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
SCHEMBL11114975 0.79 ALDH1A1 (0.49) HTR2CNOTUMALDH1A1MAPK1L3MBTL1
SCHEMBL25638265 0.74 ALDH1A1 (0.49) HTR2CNOTUMALDH1A1MAPK1L3MBTL1
SCHEMBL24233699 0.72 KDM4E (0.51) NOTUMALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL11114519 0.72 HTR4 (0.47) NOTUMALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL11128528 0.72 EGFR (0.58) NOTUMALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL9044314 0.71 ALDH1A1 (0.52) NOTUMALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL12869921 0.71 EGFR (0.60) NOTUMALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL23147028 0.71 HTT (0.45) SMN1; SMN2NPC1RAB9AHRH3NPSR1
SCHEMBL12550927 0.70 ALDH1A1 (0.47) HTR2CNOTUMALDH1A1MAPK1L3MBTL1
SCHEMBL1177836 0.70 ALDH1A1 (0.73) NOTUMALDH1A1MAPK1L3MBTL1LMNA

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-0117474-A1 Quinolone carboxylic acids, process for their preparation and antibacterial compositions containing them BAYER AG (DE) 1984-09-05 EP disclosed