SCHEMBL11071867

SCHEMBL11071867

CCCC(=O)OCCCCCCCCCCCCCCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
DGKA P23743 1/20 0.50
HTR2C P28335 1/20 0.49
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
MAPT P10636 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FAAH O00519 1/20 0.42
DNM1 Q05193 1/20 0.42
PLA2G2A P14555 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOD1 Q9Y239 1/20 0.40
RARB P10826 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
SCHEMBL17511723 1.00 NAAA (0.50) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL27750415 1.00 NAAA (0.50) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL332710 1.00 NAAA (0.50) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL9185977 1.00 NAAA (0.50) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL332926 0.98 NAAA (0.47) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL31508968 0.93 LMNA (0.45) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL30849948 0.93 LMNA (0.45) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL30849947 0.93 LMNA (0.45) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL129472 0.92 DGKA (0.48) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL11517482 0.91 DGKA (0.58) NAAADGKAHTR2CPRSS1PRSS2

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-4472338-A MIXING WITH NUCLEATING AGENT AND DISPERSANT BAYER AKTIENGESELLSCHAFT (DE) 1984-09-18 US disclosed