SCHEMBL7842772

SCHEMBL7842772

[CH2]CCCCCCOC(=O)CCC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
DGKA P23743 1/20 0.53
HTR2C P28335 1/20 0.51
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 1/20 0.44
DNM1 Q05193 1/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.43
EPHX1 P07099 1/20 0.41

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
SCHEMBL128763 1.00 NAAA (0.53) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL7837005 1.00 NAAA (0.53) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL7839343 1.00 NAAA (0.53) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL127314 0.98 NAAA (0.50) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL125163 0.92 DGKA (0.52) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL7829238 0.90 DGKA (0.62) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL7837625 0.90 DGKA (0.62) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL7838591 0.90 DGKA (0.62) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL7838818 0.90 DGKA (0.62) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL420094 0.89 NAAA (0.64) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111278896-A Thermosetting resin composition and method for producing same 堺化学工业株式会社 2020-06-12 CN disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
EP-0751133-B1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2001-09-12 EP disclosed
US-5770108-A HIGH SPEED RESPONSE, MOLECULAR ORIENTATION, HIGH CONTRAST, RECEPTIVITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
EP-0751133-A1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-02 EP disclosed