SCHEMBL6216376

SCHEMBL6216376

CC(C)(C=O)CCC(O)Cc1ccc(CC(O)CCC(C=O)(S(C)(=O)=O)S(C)(=O)=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.32

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
SCHEMBL10257627 0.87 TSHR (0.42) TP53TSHRPOLB
SCHEMBL2736999 0.70 POLB (0.38) TP53TSHRPOLB
SCHEMBL2736912 0.70 ACACB (0.38) TSHR
SCHEMBL6181013 0.67 ALDH1A1 (0.36) TP53TSHRPOLB
SCHEMBL10257325 0.65 ACACB (0.49) TSHRPOLB
SCHEMBL2736897 0.65 ACACB (0.42)
SCHEMBL6184684 0.65 RECQL (0.32) TP53TSHRPOLB
SCHEMBL6178624 0.65 RIPK1 (0.52) TSHR
SCHEMBL13053751 0.62 CTRB1 (0.38) TSHRPOLB
SCHEMBL10256466 0.61 RIPK1 (0.61) TSHR

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-1597223-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-11-23 EP disclosed
WO-2004067489-A2 HYDROXYL COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2004-08-12 WO disclosed