SCHEMBL9636095

SCHEMBL9636095

CC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C#CCCCC(O)(O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.41
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

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
SCHEMBL9637289 0.82 SQOR (0.49) HMGCRKDM4EALDH1A1LMNAHPGD
SCHEMBL9636079 0.79 SQOR (0.48) HMGCRKDM4EALDH1A1LMNAHPGD
SCHEMBL9636049 0.76 SQOR (0.51) HMGCRKDM4EALDH1A1LMNAHPGD
SCHEMBL9635988 0.75 SQOR (0.48) HMGCRKDM4EALDH1A1LMNAHPGD
SCHEMBL8877339 0.74 SQOR (0.40) SQOR
SCHEMBL8878013 0.73 SQOR (0.53) HMGCRKDM4EALDH1A1LMNAHPGD
SCHEMBL8879993 0.73 HMGCR (0.49) HMGCRKDM4EALDH1A1LMNAHPGD
SCHEMBL8877064 0.73 SQOR (0.43) KDM4EALDH1A1LMNAHPGDNPSR1
SCHEMBL8953118 0.73 HMGCR (0.41) HMGCR
SCHEMBL8953125 0.73 HMGCR (0.41) HMGCR

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