SCHEMBL28670909

SCHEMBL28670909

CCCCCC1C(=O)CCC1C(C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 7/20 0.44
▸ PTGER4 P35408 3/20 0.44
▸ PTGER3 P43115 3/20 0.44
▸ HTT P42858 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TLR4 O00206 1/20 0.36
▸ CNR1 P21554 3/20 0.35
▸ DAGLA Q9Y4D2 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ZDHHC7 Q9NXF8 1/20 0.35
▸ DNTT P04053 1/20 0.34
▸ PPARG P37231 2/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL5872496 0.88 PTGER2 (0.45) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL453839 0.85 PTGER2 (0.44) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL2120762 0.85 PTGER2 (0.44) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL28945563 0.85 PTGER2 (0.44) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL11417780 0.84 PTGER2 (0.43) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL22125297 0.83 PTGER2 (0.46) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL9623743 0.83 PTGER2 (0.49) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL22125385 0.80 HTT (0.42) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL11830401 0.80 PTGER2 (0.46) PTGER2PTGER4PTGER3HTTTSHR
SCHEMBL5236766 0.79 PTGER2 (0.41) PTGER2PTGER4PTGER3HTTTSHR

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
CN-112689621-B Organoleptic compounds 国际香料和香精公司 2023-04-04 — — CN disclosed
CN-109251135-B Novel organoleptic compounds 国际香料和香精公司(US) 2023-01-13 — — CN disclosed
CN-108697598-B Organoleptic compounds 国际香料和香精公司 2021-11-23 — — CN disclosed
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