SCHEMBL28381331

SCHEMBL28381331

CCCCCC(=O)C(C(=O)CCCC)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 4/20 0.56
▸ CES1 P23141 4/20 0.56
▸ PTGS2 P35354 1/20 0.46
▸ NAAA Q02083 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL28376757 0.98 CES2 (0.57) CES2CES1PTGS2NAAAPGR
SCHEMBL7571592 0.97 CES2 (0.58) CES2CES1NAAAL3MBTL1EPHX2
SCHEMBL6552320 0.97 CES2 (0.58) CES2CES1NAAAL3MBTL1EPHX2
SCHEMBL14973494 0.93 CES2 (0.58) CES2CES1NAAAL3MBTL1EPHX2
SCHEMBL9008213 0.93 CES2 (0.58) CES2CES1NAAAL3MBTL1EPHX2
SCHEMBL7797134 0.84 CES2 (0.55) CES2CES1NAAAL3MBTL1EPHX2
SCHEMBL4600761 0.83 CES2 (0.56) CES2CES1NAAAALDH1A1
SCHEMBL9391371 0.82 CES2 (0.57) CES2CES1NAAAL3MBTL1EPHX2
SCHEMBL16816915 0.82 CES2 (0.57) CES2CES1NAAAL3MBTL1EPHX2
SCHEMBL11791834 0.82 CES2 (0.54) CES2CES1NAAAPGRADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110845987-B High-performance copolyamide hot melt adhesive composition 南通协鑫热熔胶有限公司 2021-06-25 — — CN disclosed
CN-110845987-A High-performance copolyamide hot melt adhesive composition 南通协鑫热熔胶有限公司 2020-02-28 — — CN disclosed
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