SCHEMBL28017282

SCHEMBL28017282

[CH2]CC(C)CCc1nccs1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
SLC6A3 Q01959 3/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NOS1 P29475 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTSK P43235 1/20 0.30
FBP1 P09467 1/20 0.30

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
SCHEMBL12394787 0.81 FDPS (0.42) FDPSSLC6A3ALDH1A1TSHRNOS1
SCHEMBL14214499 0.75 FDPS (0.38) FDPSSLC6A3ALDH1A1TSHRNOS1
SCHEMBL19540174 0.75 FDPS (0.38) FDPSSLC6A3ALDH1A1TSHRNOS1
SCHEMBL20567559 0.75 FDPS (0.35) FDPSSLC6A3ALDH1A1TSHRNOS1
SCHEMBL357852 0.74
SCHEMBL9906036 0.74 FDPS (0.40) FDPSSLC6A3ALDH1A1TSHRNOS1
SCHEMBL7812065 0.74 FDPS (0.40) FDPSSLC6A3ALDH1A1TSHRNOS1
SCHEMBL19539966 0.74 FDPS (0.37) FDPSSLC6A3ALDH1A1CTSKFBP1
SCHEMBL8671012 0.73 FDPS (0.47) FDPSSLC6A3ALDH1A1TSHRNOS1
SCHEMBL2046046 0.71 FDPS (0.41) FDPSSLC6A3ALDH1A1TSHRCTSK

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
CN-104684548-A Abuse deterrent pharmaceutical compositions for controlled release EGALET LTD 2015-06-03 CN disclosed