SCHEMBL8894531

SCHEMBL8894531

COc1cc(C)cc(OC)c1C(=O)CCl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.41
MITF O75030 1/20 0.41
CYP3A4 P08684 1/20 0.41
ERN1 O75460 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
CNR2 P34972 1/20 0.39
FASN P49327 1/20 0.38

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
SCHEMBL7905410 0.85 CYP3A4 (0.47) SMN1; SMN2MAPTCYP3A4MEN1KMT2A
SCHEMBL827858 0.85 CYP3A4 (0.53) ALDH1A1SMN1; SMN2MAPTMITFCYP3A4
SCHEMBL7894116 0.81 PTGS2 (0.50) ALDH1A1SMN1; SMN2MAPTMITFMEN1
SCHEMBL12248740 0.81 HPGDS (0.47) ACHEALDH1A1SMN1; SMN2CYP3A4ERN1
SCHEMBL8893819 0.79 NPC1 (0.41) MAPTCYP3A4
SCHEMBL5997300 0.78 FASN (0.43) ACHEALDH1A1SMN1; SMN2CYP3A4ERN1
SCHEMBL11516098 0.78 ACHE (0.48) ACHEALDH1A1SMN1; SMN2CYP3A4ERN1
SCHEMBL9119401 0.77 SYNJ2 (0.54) ACHESMN1; SMN2MAPTCYP3A4MEN1
SCHEMBL12248741 0.75 CYP3A4 (0.60) ACHEALDH1A1SMN1; SMN2MAPTCYP3A4
SCHEMBL6745474 0.75 CA2 (0.59) ACHEALDH1A1SMN1; SMN2MAPTCYP3A4

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