SCHEMBL9419460

SCHEMBL9419460

CCCCCC1C(=O)OCC1(C)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 6/20 0.41
▸ PRKD3 O94806 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ PRKCB P05771 1/20 0.39
▸ PRKCH P24723 1/20 0.39
▸ PRKCE Q02156 1/20 0.39
▸ PRKCQ Q04759 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ PRKD1 Q15139 1/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL9419467 0.77 PRKCA (0.46) PRKCACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL7604302 0.77 PRKCA (0.36) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL17245053 0.73 ALOX15 (0.36) —
SCHEMBL17245052 0.73 ALOX15 (0.36) —
SCHEMBL10713615 0.68 DNTT (0.43) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL10714033 0.68 DNTT (0.43) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL6700468 0.67 PRKCA (0.35) PRKCAPRKD3PRKCGPRKCBPRKCH
SCHEMBL10714675 0.64 DNTT (0.37) —
SCHEMBL8612563 0.64 PRKCA (0.42) PRKCACYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL22470041 0.63 ALDH1A1 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0479222-B1 Aromatic substances and/or flavours GIVAUDAN ROURE INT (CH) 1994-09-14 — — EP disclosed
US-5179077-A Flavor, perfume GIVAUDAN CORPORATION (US) 1993-01-12 — — US disclosed
EP-0479222-A1 Aromatic substances and/or flavours GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1992-04-08 — — EP disclosed
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