SCHEMBL20041237

SCHEMBL20041237

CCCCOC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.48
DGKA P23743 1/20 0.47
EPHX2 P34913 6/20 0.46
DNM1 Q05193 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
PRKCA P17252 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2741105 0.97 NAAA (0.46) NAAADGKAEPHX2DNM1PRSS1
SCHEMBL8948986 0.92 HTR2C (0.47) NAAADGKAEPHX2PRSS1PRSS2
SCHEMBL8948960 0.92 HTR2C (0.47) NAAADGKAEPHX2PRSS1PRSS2
SCHEMBL8948993 0.92 HTR2C (0.47) NAAADGKAEPHX2PRSS1PRSS2
SCHEMBL17296568 0.90 NAAA (0.58) NAAADGKAPRKCASMN1; SMN2
SCHEMBL13075208 0.90 NAAA (0.58) NAAADGKAPRKCASMN1; SMN2
SCHEMBL225069 0.90 NAAA (0.58) NAAADGKAPRKCASMN1; SMN2
SCHEMBL15300079 0.90 NAAA (0.58) NAAADGKAPRKCASMN1; SMN2
SCHEMBL14525070 0.90 NAAA (0.58) NAAADGKAPRKCASMN1; SMN2
SCHEMBL15299923 0.90 NAAA (0.58) NAAADGKAPRKCASMN1; 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-3305824-A1 COLOUR STABLE CURING AGENT COMPOSITIONS CONTAINING POLYISOCYANATES OF (CYCLO)ALIPHATIC DIISOCYANATES BASF SE (DE) 2018-04-11 EP disclosed