SCHEMBL8644241

SCHEMBL8644241

CCN(O)c1c(C)[nH]c2ccc(OC)c(C(=O)c3ccc(Cl)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MAPT P10636 4/20 0.39
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.36
LMNA P02545 3/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PKM P14618 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL5806535 0.79 POLB (0.41) POLBMAPTHPGDCNR1LMNA
SCHEMBL5154201 0.79 POLB (0.41) POLBMAPTHPGDCNR1LMNA
SCHEMBL998208 0.79 AKR1C2 (0.46) POLBMAPTHPGDCNR1LMNA
SCHEMBL8671570 0.78 POLB (0.40) POLBMAPTHPGDCNR1LMNA
SCHEMBL5154300 0.78 POLB (0.38) POLBMAPTHPGDCNR1LMNA
Potassium SCHEMBL11436513 0.77 POLB (0.41) POLBMAPTHPGDCNR1LMNA
SCHEMBL9797202 0.77 ALOX5 (0.45) POLBMAPTLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL5805761 0.77 KRAS (0.43) POLBMAPTHPGDCNR1LMNA
Water SCHEMBL11448361 0.76 POLB (0.41) POLBMAPTHPGDCNR1LMNA
Water SCHEMBL11448359 0.76 POLB (0.41) POLBMAPTHPGDCNR1LMNA

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
US-5756531-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1998-05-26 US disclosed