SCHEMBL8895935

SCHEMBL8895935

CCC(=O)c1cc(Cl)c(OC)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.54
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HTR4 Q13639 4/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL8894440 0.86 HMGCR (0.51) HMGCRALDH1A1GAASMN1; SMN2LMNA
SCHEMBL9720549 0.86 HMGCR (0.51) HMGCRALDH1A1GAASMN1; SMN2LMNA
SCHEMBL28167755 0.86 HMGCR (0.75) HMGCRALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL28860120 0.86 HMGCR (0.45) HMGCRALDH1A1GAASMN1; SMN2LMNA
SCHEMBL4764754 0.85 HMGCR (0.72) HMGCRALDH1A1GAACYP3A4
SCHEMBL24010659 0.85 GAA (0.54) HMGCRALDH1A1GAASMN1; SMN2LMNA
SCHEMBL30288429 0.85 GAA (0.54) HMGCRALDH1A1GAASMN1; SMN2LMNA
SCHEMBL23173889 0.84 ALDH1A1 (0.45) ALDH1A1GAASMN1; SMN2LMNAHTR4
SCHEMBL20507907 0.84 HPGDS (0.47) ALDH1A1GAASMN1; SMN2LMNAHTR4
SCHEMBL23173670 0.84 ALDH1A1 (0.45) ALDH1A1GAASMN1; SMN2LMNAHTR4

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-5656648-A TREATMENT OF PATHOLOGIES NECESSITATING STIMULATION OF CHOLECYSTOKININ-A RECEPTORS BY TOTAL OR PARTIAL AGONIST EFFECT SANOFI (FR) 1997-08-12 US disclosed
EP-0611766-A1 Polysubstituted 2-amido thiazoles derivatives, process for their preparation, pharmaceutical compositions and utilization for the preparation of a medicament SANOFI (FR) 1994-08-24 EP disclosed