SCHEMBL4789168

SCHEMBL4789168

CCCCCSC1CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 8/20 0.40
GNAO1 P09471 8/20 0.40
GNAI1 P63096 8/20 0.40
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 1/20 0.35
TBXA2R P21731 1/20 0.34
CES2 O00748 1/20 0.33
FAAH O00519 1/20 0.33
NAAA Q02083 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
SCHEMBL2772701 0.80 ALDH1A1 (0.36) GNAI3GNAO1GNAI1MAPTTHRB
SCHEMBL4552184 0.80 HPGD (0.47) MAPTTHRBPKM
SCHEMBL11810128 0.75
SCHEMBL9029595 0.74 ALDH1A1 (0.41)
SCHEMBL27793328 0.74 GNAI3 (0.53) GNAI3GNAO1GNAI1POLBMAPT
SCHEMBL15270730 0.73 THRB (0.40) GNAI3GNAO1GNAI1POLBMAPT
SCHEMBL15271904 0.73 THRB (0.40) GNAI3GNAO1GNAI1POLBMAPT
SCHEMBL15271476 0.73 THRB (0.40) GNAI3GNAO1GNAI1POLBMAPT
SCHEMBL16413053 0.73 THRB (0.40) GNAI3GNAO1GNAI1POLBMAPT
SCHEMBL15271194 0.73 THRB (0.40) GNAI3GNAO1GNAI1POLBMAPT

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
WO-2008121592-A2 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 WO disclosed