SCHEMBL9304547

SCHEMBL9304547

CCCCCC[C@H]1C(=O)OCC(C)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.44
CYP1A2 P05177 3/20 0.41
DAGLA Q9Y4D2 1/20 0.40
SPHK2 Q9NRA0 3/20 0.40
SPHK1 Q9NYA1 3/20 0.40
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GBA1 P04062 3/20 0.37

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
SCHEMBL12637694 0.80 CYP1A2 (0.40) PRKCACYP1A2DAGLAALDH1A1
SCHEMBL14601501 0.79 FAAH (0.35)
SCHEMBL16432856 0.76 PRKCA (0.50) PRKCACYP1A2DAGLAPRKD3PRKCG
SCHEMBL16431984 0.76 PRKCA (0.50) PRKCACYP1A2DAGLAPRKD3PRKCG
SCHEMBL29512223 0.76 PRKCA (0.50) PRKCACYP1A2DAGLAPRKD3PRKCG
SCHEMBL11629284 0.72 ALOX5 (0.56) ALDH1A1
SCHEMBL14601491 0.71 PRSS1 (0.37)
SCHEMBL13177714 0.71 ALDH1A1 (0.47) PRKCACYP1A2ALDH1A1
SCHEMBL8045560 0.71 ALDH1A1 (0.47) PRKCACYP1A2ALDH1A1
SCHEMBL18614714 0.71 ALDH1A1 (0.47) PRKCACYP1A2ALDH1A1

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
US-5332807-A Process of producing 8A- and 9A-azalide antibiotics MERCK & CO., INC. (US) 1994-07-26 US disclosed
WO-1994015617-A1 8A-AZA AND 9A-AZA MACROLIDE ANTIBIOTICS, AND A PROCESS FOR PRODUCING SAME AND METHODS OF USE MERCK & CO., INC. (US) 1994-07-21 WO disclosed