SCHEMBL499876

SCHEMBL499876

CCC(CN1CCCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
SLC6A4 P31645 2/20 0.44
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
SLC6A3 Q01959 2/20 0.40
ATM Q13315 2/20 0.39
DRD3 P35462 3/20 0.38
CHRM3 P20309 2/20 0.38
CHRM2 P08172 2/20 0.38
ADRA2B P18089 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CYP2D6 P10635 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
SCHEMBL10566709 0.98 ALDH1A1 (0.51) ALDH1A1MAPTHPGDSLC6A4CA2
SCHEMBL25184849 0.96 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSLC6A4CA2
SCHEMBL10885055 0.96 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSLC6A4CA2
SCHEMBL23886179 0.96 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSLC6A4CA2
Hydrochloric Acid SCHEMBL23886307 0.94 ALDH1A1 (0.43) ALDH1A1MAPTHPGDSLC6A4CA2
SCHEMBL25264532 0.94 ALDH1A1 (0.43) ALDH1A1MAPTHPGDSLC6A4CA2
SCHEMBL25184294 0.94 ALDH1A1 (0.43) ALDH1A1MAPTHPGDSLC6A4CA2
SCHEMBL11461136 0.85 ALDH1A1 (0.53) ALDH1A1MAPTHPGDSLC6A4MAPK1
SCHEMBL500355 0.82 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ASLC1A3
SCHEMBL28642783 0.81 CA2 (0.37) ALDH1A1MAPTHPGDSLC6A4CA2

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
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