SCHEMBL8900836

SCHEMBL8900836

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SQOR Q9Y6N5 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8877068 0.83 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL8877344 0.82 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL9636049 0.76 SQOR (0.51) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL9636004 0.75 KDM4E (0.49) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL9636079 0.74 SQOR (0.48) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL8878470 0.74 KMT2A (0.35) KMT2A
SCHEMBL8877585 0.74
SCHEMBL9637289 0.73 SQOR (0.49) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL8877491 0.73
SCHEMBL8878941 0.73

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-5686433-A CHOLESTEROL BIOSYNTHESIS INHIBITION E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US disclosed