SCHEMBL8726155

SCHEMBL8726155

O=C(Nc1ccc(Cc2ccc(C(=O)O)cc2)cc1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
TP53 P04637 2/20 0.56
MAPT P10636 2/20 0.56
KDM1A O60341 3/20 0.55
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
RCOR1 Q9UKL0 2/20 0.55
MGLL Q99685 1/20 0.55
ROCK2 O75116 1/20 0.54
RAB9A P51151 2/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SRD5A2 P31213 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51

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
SCHEMBL3694153 0.94 POLB (0.68) POLBTP53MAPTKDM1AMAOA
SCHEMBL10598558 0.93 POLB (0.69) POLBTP53MAPTKDM1AMAOA
SCHEMBL4688381 0.87 POLB (0.62) POLBTP53MAPTKDM1AMAOA
SCHEMBL31043626 0.86 POLB (0.61) POLBTP53MAPTKDM1AMAOA
SCHEMBL4690673 0.86 POLB (0.61) POLBTP53MAPTKDM1AMAOA
SCHEMBL8726462 0.85 NAMPT (0.70) POLBMAPTRAB9AGAAKMT2A
Benzyl Phenylcarbamate SCHEMBL1222943 0.83 POLB (0.78) POLBTP53MAPTKDM1AMAOA
SCHEMBL10595799 0.83 POLB (0.73) POLBTP53MAPTKDM1AMAOA
SCHEMBL10350689 0.83 POLB (0.61) POLBTP53MAPTKDM1AMAOA
SCHEMBL8867533 0.82 POLB (0.64) POLBTP53MAPTKDM1AMAOA

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
WO-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed