SCHEMBL9527407

SCHEMBL9527407

CC(C)C(/C=C/[C@@H](O)CC(O)CC(=O)O)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 12/20 0.48
ABCC3 O15438 1/20 0.46
ABCB11 O95342 1/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2C9 P11712 1/20 0.46
RXRA P19793 1/20 0.46
TBXA2R P21731 1/20 0.46
CCKAR P32238 1/20 0.46
ADRA1A P35348 1/20 0.46
PTGS2 P35354 1/20 0.46
NR4A2 P43354 1/20 0.46
PDE4D Q08499 1/20 0.46
SLC10A1 Q14973 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46

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
SCHEMBL9420163 1.00 HMGCR (0.48) HMGCRABCC3ABCB11PGRADORA3
SCHEMBL9420161 1.00 HMGCR (0.48) HMGCRABCC3ABCB11PGRADORA3
SCHEMBL9622030 1.00 HMGCR (0.48) HMGCRABCC3ABCB11PGRADORA3
SCHEMBL9422202 1.00 HMGCR (0.48) HMGCRABCC3ABCB11PGRADORA3
SCHEMBL9527412 1.00 HMGCR (0.48) HMGCRABCC3ABCB11PGRADORA3
SCHEMBL9420174 1.00 HMGCR (0.48) HMGCRABCC3ABCB11PGRADORA3
SCHEMBL9622032 1.00 HMGCR (0.48) HMGCRABCC3ABCB11PGRADORA3
SCHEMBL9855229 0.99 HMGCR (0.47) HMGCRABCC3ABCB11PGRADORA3
SCHEMBL10459360 0.88 HMGCR (0.61) HMGCR
SCHEMBL9859491 0.88 HMGCR (0.61) 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
EP-0319847-B1 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE 3-DESMETHYLMEVALONIC ACID DERIVATIVES AND INTERMEDIATE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-28 EP disclosed