SCHEMBL7836016

SCHEMBL7836016

[CH2]CCC(=O)OCCCCCCCCC

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.64
DGKA P23743 1/20 0.64
HTR2C P28335 1/20 0.61
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58
RAD52 P43351 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 3/20 0.53
FAAH O00519 1/20 0.53
DNM1 Q05193 1/20 0.53
EPHX1 P07099 1/20 0.50
PAM P19021 2/20 0.48

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
SCHEMBL8895625 1.00 NAAA (0.64) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL7837074 1.00 NAAA (0.64) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL5634633 1.00 NAAA (0.64) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL5065160 1.00 NAAA (0.64) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL1569309 1.00 NAAA (0.64) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL7838932 1.00 NAAA (0.64) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL8896231 1.00 NAAA (0.64) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL8896172 1.00 NAAA (0.64) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL2049673 0.98 NAAA (0.61) NAAADGKAHTR2CPRSS1PRSS2
SCHEMBL126972 0.92 DGKA (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945556-A Lipidoids for nucleic acid transfection and uses thereof 捷克有机化学和生物化学研究院 2022-08-26 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