SCHEMBL9068997

SCHEMBL9068997

CCCCCCCCOC(=O)CC(=O)CCCCC(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.63
DGKA P23743 1/20 0.59
NAAA Q02083 1/20 0.55
HTR2C P28335 1/20 0.53
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
DNM1 Q05193 1/20 0.50
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HAO1 Q9UJM8 1/20 0.47
EPHX1 P07099 1/20 0.47
EPHX2 P34913 2/20 0.47
POLB P06746 1/20 0.46
POLA1 P09884 1/20 0.46
PAM P19021 2/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL9069083 0.93 DGKA (0.53) FAAHDGKANAAAHTR2CPRSS1
SCHEMBL1318219 0.93 FAAH (0.71) FAAHDGKANAAAHTR2CPRSS1
SCHEMBL9245668 0.93 FAAH (0.71) FAAHDGKANAAAHTR2CPRSS1
SCHEMBL11695627 0.93 FAAH (0.71) FAAHDGKANAAAHTR2CPRSS1
SCHEMBL1906190 0.93 FAAH (0.71) FAAHDGKANAAAHTR2CPRSS1
SCHEMBL11569429 0.91 FAAH (0.68) FAAHDGKANAAAHTR2CPRSS1
SCHEMBL14213382 0.90 DGKA (0.74) FAAHDGKANAAAHTR2CPRSS1
SCHEMBL15027500 0.90 DGKA (0.74) FAAHDGKANAAAHTR2CPRSS1
SCHEMBL8772076 0.90 DGKA (0.74) FAAHDGKANAAAHTR2CPRSS1
SCHEMBL11877869 0.90 DGKA (0.74) FAAHDGKANAAAHTR2CPRSS1

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-5530143-A REDUCTION OF (3S)-3-HYDROXYOCTANEDIOIC DIESTER WITH COMPLEX HYDRIDE BASF AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed