SCHEMBL459682

SCHEMBL459682

CC(C)c1ccc(Cn2cc(Cl)c(O)cc2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ESRRG P62508 1/20 0.42
TYR P14679 1/20 0.41
GCGR P47871 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MCL1 Q07820 1/20 0.39
RNASEH1 O60930 1/20 0.38
ADCYAP1R1 P41586 1/20 0.37
P2RX3 P56373 1/20 0.37
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
NPBWR1 P48145 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL459616 0.81 MAPT (0.48) MAPTALDH1A1NPBWR1LMNA
SCHEMBL10080764 0.78 MAPT (0.44) MAPTALDH1A1HTTSMN1; SMN2VEGFA
SCHEMBL459562 0.74 POLB (0.47) MAPTALDH1A1SMN1; SMN2EGLN1THRB
SCHEMBL460146 0.74 MAPT (0.55) MAPTLMNA
SCHEMBL19501371 0.73 MAPT (0.50) MAPTALDH1A1HTTSMN1; SMN2THRB
SCHEMBL21201592 0.73 MAPT (0.45) MAPTALDH1A1HTTSMN1; SMN2MCL1
SCHEMBL21201586 0.72 MAPT (0.43) MAPTALDH1A1HTTSMN1; SMN2MCL1
SCHEMBL9694570 0.71 ADRA1A (0.32) TYRALDH1A1
SCHEMBL13384538 0.71 MAPT (0.50) MAPTALDH1A1HTTSMN1; SMN2THRB
SCHEMBL21201594 0.70 MAPK14 (0.53) LMNA

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-2012011707-A2 SUBSTITUTED PYRIDINONE DERIVATIVES AND METHODS FOR MANUFACTURING THE SAME HYUNDAI PHARM CO., LTD. (KR) 2012-01-26 WO disclosed