SCHEMBL7575629

SCHEMBL7575629

CCCCCCCCCCO[C](CCC)CCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
DGKA P23743 1/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
EPHX1 P07099 1/20 0.45
TSHR P16473 2/20 0.44
HTR2C P28335 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
FAAH O00519 1/20 0.40
DNM1 Q05193 1/20 0.40

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
SCHEMBL10822380 0.79 HTT (0.44) NAAADGKACA12CA1CA2
SCHEMBL27579477 0.76 NAAA (0.52) NAAADGKACA12CA1CA2
SCHEMBL11113252 0.75 CA1 (0.40) NAAADGKACA12CA1CA2
SCHEMBL11106994 0.75 HCAR2 (0.36) DGKATSHRHCAR2CES2CES1
SCHEMBL891412 0.74 NAAA (0.50) NAAADGKACA12CA1CA2
SCHEMBL22801139 0.74 DGKA (0.80) NAAADGKAPRSS1PRSS2PRSS3
SCHEMBL25243121 0.73 DGKA (0.87) NAAADGKAPRSS1PRSS2PRSS3
SCHEMBL23042055 0.73 DGKA (0.87) NAAADGKAPRSS1PRSS2PRSS3
SCHEMBL25245209 0.73 DGKA (0.87) NAAADGKAPRSS1PRSS2PRSS3
SCHEMBL23041629 0.73 DGKA (0.87) NAAADGKAPRSS1PRSS2PRSS3

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-1181330-A1 MIXTURES CONTAINING STABILISERS AND IMINOPHOSPHORANES BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000066661-A1 MIXTURES CONTAINING STABILISERS AND IMINOPHOSPHORANES BASF AKTIENGESELLSCHAFT (DE) 2000-11-09 WO disclosed