SCHEMBL8897224

SCHEMBL8897224

COc1cc(OC)c(C(=O)CCl)c(OC)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
STING1 Q86WV6 1/20 0.35
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
ERN1 O75460 1/20 0.34

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
SCHEMBL827858 0.73 CYP3A4 (0.53) ALDH1A1RAB9ALMNA
SCHEMBL8894531 0.73 ACHE (0.43) POLBALDH1A1LMNARECQLERN1
SCHEMBL7905410 0.73 CYP3A4 (0.47) POLBTDP1HPGDRECQL
SCHEMBL27429276 0.72 POLB (0.39) POLBTDP1KDM4EALDH1A1CYP1A2
SCHEMBL7894116 0.70 PTGS2 (0.50) KDM4EALDH1A1LMNAHPGD
SCHEMBL9119401 0.69 SYNJ2 (0.54) POLBHPGDRECQL
SCHEMBL7901522 0.68 CYP3A4 (0.65) TDP1KDM4EALDH1A1HPGDERN1
SCHEMBL8893819 0.68 NPC1 (0.41) CYP1A2NPC1RAB9A
Hydrochloric Acid SCHEMBL27729809 0.68 POLB (0.41) POLBTDP1KDM4EALDH1A1CYP1A2
SCHEMBL18210551 0.68 LMNA (0.44) POLBTDP1KDM4EALDH1A1CYP1A2

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