SCHEMBL11388484

SCHEMBL11388484

N[C@H]1CN(C(C(=O)OC(c2ccccc2)c2ccccc2)c2ccc(OCc3ccccc3)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
PRKCA P17252 2/20 0.42
PRKCD Q05655 2/20 0.42
S1PR5 Q9H228 1/20 0.42
PARP10 Q53GL7 1/20 0.40
NAAA Q02083 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL11388485 1.00 ALOX5 (0.43) ALOX5PRKCAPRKCDS1PR5PARP10
SCHEMBL11388488 1.00 ALOX5 (0.43) ALOX5PRKCAPRKCDS1PR5PARP10
SCHEMBL11395971 0.89 S1PR5 (0.47) ALOX5PRKCAPRKCDS1PR5PARP10
SCHEMBL11395972 0.89 S1PR5 (0.47) ALOX5PRKCAPRKCDS1PR5PARP10
Hydrochloric Acid SCHEMBL11399433 0.89 S1PR5 (0.46) ALOX5PRKCAPRKCDS1PR5PARP10
Hydrochloric Acid SCHEMBL11399418 0.89 S1PR5 (0.46) ALOX5PRKCAPRKCDS1PR5PARP10
SCHEMBL11395692 0.88 LTA4H (0.48) ALOX5PRKCAPRKCDS1PR5
SCHEMBL11395689 0.88 LTA4H (0.48) ALOX5PRKCAPRKCDS1PR5
SCHEMBL11395691 0.88 LTA4H (0.48) ALOX5PRKCAPRKCDS1PR5
SCHEMBL11392784 0.86 SRD5A2 (0.40) ALOX5S1PR5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243587-A CYCLIZING A 3-ACYLAMINO-4A-ACETOXYAZETIDINONE ESTER WITH HYDROCHLORIC ACID TO OBTAIN THE 4-OXA-2,6-DIAZABICYCLO(3.2.0)HEPTANE ELI LILLY AND COMPANY (US) 1981-01-06 US disclosed
US-4226767-A NOCARDICIN ELI LILLY AND COMPANY (US) 1980-10-07 US disclosed
US-4180507-A NOCARDICIN INTERMEDIATE ELI LILLY AND COMPANY (US) 1979-12-25 US disclosed
US-4127568-A Process for 3β-aminoazetidin-2-ones ELI LILLY AND COMPANY (US) 1978-11-28 US disclosed