SCHEMBL500356

SCHEMBL500356

CCC(CC(=O)O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8616996 0.84 KDM4E (0.44) ALDH1A1NPSR1KMT2ALMNAMAPT
SCHEMBL20610002 0.83 ALDH1A1 (0.40) ALDH1A1NPSR1KMT2ALMNAMAPT
SCHEMBL499960 0.83 POLB (0.40) ALDH1A1NPSR1KMT2ALMNAMAPT
SCHEMBL10885050 0.82 SLC6A3 (0.45) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL10025245 0.82 SLC6A3 (0.49) ALDH1A1NPSR1KMT2ALMNAMAPT
SCHEMBL10566713 0.81 SLC6A3 (0.48) ALDH1A1NPSR1LMNAMAPTHPGD
SCHEMBL9621841 0.81 ALDH1A1 (0.44) ALDH1A1NPSR1KMT2ALMNAMAPT
SCHEMBL3898954 0.80 ALDH1A1 (0.54) ALDH1A1NPSR1KMT2ALMNAMAPT
SCHEMBL10042012 0.80 ALDH1A1 (0.41) ALDH1A1NPSR1KMT2ALMNAMAPT
SCHEMBL500329 0.78 L3MBTL1 (0.42) ALDH1A1NPSR1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8105760-B2 Patterning process and pattern surface coating composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-31 US disclosed
US-20090053657-A1 PATTERNING PROCESS AND PATTERN SURFACE COATING COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-02-26 US disclosed
US-4012445-A Beta-amino carbonyl catalysts for polyurethane preparation UNION CARBIDE CORPORATION (US) 1977-03-15 US disclosed