SCHEMBL8516209

SCHEMBL8516209

CCCCC[C@@H]1C(=O)CC[C@H]1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 2/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ PRKCG P05129 1/20 0.46
▸ PRKCB P05771 1/20 0.46
▸ PRKCH P24723 1/20 0.46
▸ PRKCE Q02156 1/20 0.46
▸ PRKCQ Q04759 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ PRKD1 Q15139 1/20 0.46
▸ PTGER2 P43116 6/20 0.40
▸ PTGER4 P35408 2/20 0.40
▸ PTGER3 P43115 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TLR4 O00206 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36

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
SCHEMBL3127765 1.00 PRKCA (0.46) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL29068788 1.00 PRKCA (0.46) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL27869221 0.98 PRKCA (0.48) PRKCAPRKD3PRKCGPRKCBPRKCH
Cyclopentanone SCHEMBL28072805 0.93 PRKCA (0.41) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL2363827 0.87 PTGER2 (0.42) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL11514477 0.85 PTGER2 (0.43) PRKCAPTGER2PTGER4PTGER3HTT
SCHEMBL11516297 0.85 PTGER2 (0.43) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL11513716 0.83 PTGER2 (0.47) PRKCAPTGER2PTGER4PTGER3HTT
SCHEMBL11513391 0.82 PTGER2 (0.48) PRKCAPTGER2PTGER4PTGER3HTT
SCHEMBL11798057 0.81 FAAH (0.36) PRKCAPRKD3PRKCGPRKCBPRKCH

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
EP-1869150-B2 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2016-08-31 — — EP disclosed
EP-1869150-B1 PERFUME COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2012-05-30 — — EP disclosed
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