SCHEMBL28101632

SCHEMBL28101632

CCCCCC1C(=O)CCC1(C)CC(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DNTT P04053 1/20 0.36
▸ PTGER2 P43116 3/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ PRKCA P17252 6/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL234408 0.85 PRKCA (0.37) PTGER2PTGER4PTGER3PRKCAPOLB
SCHEMBL2240463 0.85 PRKCA (0.37) PTGER2PTGER4PTGER3PRKCAPOLB
SCHEMBL28619636 0.83 PRKCA (0.39) PTGER2PTGER4PTGER3PRKCATSHR
SCHEMBL28625241 0.80 TLR4 (0.33) PRKCAHTTTP53MAPT
SCHEMBL29010515 0.77 DNTT (0.40) DNTTPTGER2PTGER4PTGER3PRKCA
SCHEMBL30108855 0.75 TP53 (0.42) TSHRTP53ALDH1A1POLBMAPT
SCHEMBL28464005 0.74 DNTT (0.35) DNTTPRKCATSHRHTTSMN1; SMN2
SCHEMBL10385584 0.73 PRKCA (0.41) PRKCAHTTALDH1A1L3MBTL1
SCHEMBL20237290 0.73 CYP1A2 (0.35) PRKCA
SCHEMBL7604302 0.72 PRKCA (0.36) DNTTPRKCAALDH1A1POLBL3MBTL1

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 6 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
CN-108697598-A Novel sensory compounds 国际香料和香精公司 2018-10-23 — — CN disclosed
CN-108473911-A Formylthiophenes and their use in flavour and fragrance compositions 国际香料和香精公司 2018-08-31 — — CN disclosed
CN-106008178-A Organoleptic compounds 国际香料和香精公司 2016-10-12 — — CN disclosed
Send feedback