SCHEMBL9196176

SCHEMBL9196176

O=C(NC1CNCC1O)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCE Q02156 16/20 0.49
PRKCB P05771 14/20 0.49
PRKCA P17252 13/20 0.49
PRKCH P24723 8/20 0.49
PRKCD Q05655 8/20 0.49
PRKCG P05129 7/20 0.49
PRKCZ Q05513 3/20 0.49
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
MPO P05164 1/20 0.43
CYP3A4 P08684 1/20 0.43
KDM5A P29375 1/20 0.43
BLM P54132 1/20 0.43
GFER P55789 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
PRKACA P17612 4/20 0.42
PRKACG P22612 3/20 0.42
PRKACB P22694 3/20 0.42
PRKD3 O94806 1/20 0.42

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
SCHEMBL11337008 0.85 HSD17B10 (0.44)
SCHEMBL11337013 0.85 HSD17B10 (0.44)
SCHEMBL11337006 0.85 HSD17B10 (0.44)
SCHEMBL16031870 0.83 MLYCD (0.45) CYP3A4
SCHEMBL16031871 0.83 MLYCD (0.45) CYP3A4
SCHEMBL16031866 0.83 MLYCD (0.45) CYP3A4
SCHEMBL14140665 0.82 ALDH1A1 (0.47) MPOCYP3A4GFERPRKCI
Hydrochloric Acid SCHEMBL7619870 0.78 MMP2 (0.61)
Hydrochloric Acid SCHEMBL7619875 0.78 MMP2 (0.61)
SCHEMBL9201097 0.77 FAAH (0.53)

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-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed