SCHEMBL4565140

SCHEMBL4565140

[CH]1CCCC(c2ccc(-c3nc[nH]n3)cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.34
S1PR1 P21453 1/20 0.32
HAO1 Q9UJM8 1/20 0.31
HSP90AA1 P07900 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11195005 0.85 NOTUM (0.45) NOTUMS1PR1HAO1HSP90AA1GAA
SCHEMBL11201412 0.83 S1PR1 (0.44) NOTUMS1PR1HAO1HSP90AA1GAA
SCHEMBL11203285 0.83 S1PR1 (0.44) NOTUMS1PR1HAO1HSP90AA1GAA
SCHEMBL11195134 0.76 NOTUM (0.33) NOTUMS1PR1HAO1
SCHEMBL7249097 0.68 ESR2 (0.52)
SCHEMBL29097441 0.68 ALDH1A1 (0.41) MAPT
SCHEMBL780217 0.67 SLC18A3 (0.43) GAAMAPT
SCHEMBL4943496 0.66 DGAT1 (0.40) NOTUM
SCHEMBL20048272 0.65 GRM5 (0.44) GAAMAPT
SCHEMBL8815392 0.65 HRH3 (0.62) KMT2A

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
EP-2117526-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2009-11-18 EP disclosed
WO-2008067257-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-06-05 WO disclosed