SCHEMBL16207902

SCHEMBL16207902

CCC1C(C(=O)O)CCCN1C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
PEPD P12955 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
RAB9A P51151 1/20 0.34
ACE P12821 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL21676666 0.85 CHRNB2 (0.38) PEPDCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL7700224 0.80 ALDH1A1 (0.43) SMN1; SMN2PEPDRAB9AALDH1A1
SCHEMBL9340416 0.78 GBA2 (0.42) SMN1; SMN2
SCHEMBL26050252 0.76 GBA1 (0.45) SMN1; SMN2
SCHEMBL23081228 0.75 ALDH1A1 (0.36) PEPDCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL21673071 0.75 MEN1 (0.39) PEPDCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL16759353 0.75 ALDH1A1 (0.36) PEPDCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL4514040 0.74 BCHE (0.36) SMN1; SMN2PEPDRAB9AALDH1A1
SCHEMBL4518775 0.73 BCHE (0.37) SMN1; SMN2ALDH1A1
SCHEMBL26136282 0.72 SMN1; SMN2 (0.32) SMN1; SMN2

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-2617779-B1 Low odor environmentally-friendly nano-pigment inkjet ink composition JETBEST CORP (TW) 2014-11-05 EP claimed