SCHEMBL9683994

SCHEMBL9683994

CCC(=O)N1C(=O)OCC1Cc1ccccc1.O=C1NCCO1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.41
PPARA Q07869 2/20 0.38
IDH1 O75874 10/20 0.38
FAAH O00519 1/20 0.37
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARG P37231 1/20 0.35
IL6ST P40189 1/20 0.35

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
SCHEMBL9683998 1.00 NAAA (0.41) NAAAPPARAIDH1FAAHCSNK2B
SCHEMBL237076 0.89 NAAA (0.49) NAAAPPARAIDH1FAAHALDH1A1
SCHEMBL291952 0.89 NAAA (0.49) NAAAPPARAIDH1FAAHALDH1A1
SCHEMBL237075 0.89 NAAA (0.49) NAAAPPARAIDH1FAAHALDH1A1
SCHEMBL6244705 0.87 NAAA (0.48) NAAAPPARAIDH1FAAHCSNK2B
SCHEMBL292752 0.79 NAAA (0.53) NAAAPPARAIDH1FAAHCSNK2B
SCHEMBL2207671 0.79 NAAA (0.53) NAAAPPARAIDH1FAAHCSNK2B
SCHEMBL292751 0.79 NAAA (0.53) NAAAPPARAIDH1FAAHCSNK2B
SCHEMBL2501454 0.78 NAAA (0.48) NAAAPPARAIDH1FAAHIL6ST
SCHEMBL2501460 0.78 NAAA (0.48) NAAAPPARAIDH1FAAHIL6ST

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
US-5132457-A Stereospecific synthesis of 2(R)-2-methyl-3-dimethylamino-propiophenone (d-DAMP) MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1992-07-21 US disclosed