SCHEMBL8877904

SCHEMBL8877904

C#CC(C(=O)Oc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1C(C)(C)C)(C(C)O)[PH](=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SQOR Q9Y6N5 2/20 0.36
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
CRHBP P24387 1/20 0.33
MAPK1 P28482 1/20 0.33
CRHR2 Q13324 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8902499 0.91 SLC6A4 (0.30) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL8878790 0.89 HMGCR (0.38) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL8876573 0.86 VCP (0.35) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL8877802 0.83 HMGCR (0.39) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL8876998 0.81 HMGCR (0.38) SQOR
SCHEMBL8877833 0.80 HMGCR (0.32)
SCHEMBL8877239 0.80 HMGCR (0.31)
SCHEMBL8878938 0.79 HMGCR (0.33)
SCHEMBL8878253 0.79 HMGCR (0.33) HPGDKMT2A
SCHEMBL8878313 0.79 HMGCR (0.32) KMT2A

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-5691322-A Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-11-25 US disclosed
US-5686433-A CHOLESTEROL BIOSYNTHESIS INHIBITION E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US disclosed