SCHEMBL9636004

SCHEMBL9636004

COC(=O)CC(=O)CC(O)C#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SQOR Q9Y6N5 1/20 0.43

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
SCHEMBL9636049 0.81 SQOR (0.51) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL9636079 0.77 SQOR (0.48) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL9637289 0.76 SQOR (0.49) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL8877068 0.76 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL8900836 0.75 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL10345723 0.75
SCHEMBL8877344 0.75 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL8953110 0.75
SCHEMBL9635988 0.73 SQOR (0.48) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL8877064 0.73 SQOR (0.43) KDM4EALDH1A1LMNAHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091386-A Hydroxy-3-methylglutaryl-coenzyme A reductase inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed