SCHEMBL10345388

SCHEMBL10345388

CC(C)c1nc2c(c(-c3ccc(F)cc3)c1C#CO[PH](=O)C[C@@H](O)CC(=O)O)CCc1ccccc1-2

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.37
ESR1 P03372 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
PDE4A P27815 1/20 0.36
ADRA1A P35348 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL8953059 0.90 SQOR (0.36) SQORESR1HMGCRCHRM1TBXA2R
SCHEMBL8953066 0.90 SQOR (0.36) SQORESR1HMGCRCHRM1TBXA2R
SCHEMBL8952989 0.83 SQOR (0.44) SQORESR1HMGCRCHRM1TBXA2R
SCHEMBL10345240 0.83 HMGCR (0.39) ESR1HMGCRCHRM1TBXA2RPDE4A
SCHEMBL8952796 0.82
SCHEMBL8952806 0.82
SCHEMBL9849260 0.82
SCHEMBL8953052 0.82
SCHEMBL10345348 0.81 NR4A2 (0.42) ESR1HMGCRCHRM1TBXA2RPDE4A
SCHEMBL8952794 0.78 SQOR (0.32) SQORKDM4EGLA

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
EP-0356788-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1990-03-07 EP claimed
EP-0356788-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1990-03-07 EP disclosed