SCHEMBL7838591

SCHEMBL7838591

[CH2]CCCCCCCOC(=O)CCCC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.62
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
NAAA Q02083 1/20 0.57
HTR2C P28335 1/20 0.54
DNM1 Q05193 1/20 0.51
TSHR P16473 3/20 0.49
RAD52 P43351 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FAAH O00519 1/20 0.47
PAM P19021 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL7838818 1.00 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7837625 1.00 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7829238 1.00 DGKA (0.62) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL5256636 0.98 DGKA (0.59) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL1888899 0.94 DGKA (0.71) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7839300 0.94 DGKA (0.71) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL6880430 0.94 DGKA (0.71) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7840375 0.94 DGKA (0.71) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL7839329 0.94 DGKA (0.71) DGKAPRSS1PRSS2PRSS3NAAA
SCHEMBL10889541 0.94 DGKA (0.71) DGKAPRSS1PRSS2PRSS3NAAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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