SCHEMBL9806508

SCHEMBL9806508

COC(=O)c1ccccc1Nc1cccc(C(C)O)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
ALOX15 P16050 1/20 0.54
KDM4E B2RXH2 7/20 0.51
KMT2A Q03164 4/20 0.51
ATM Q13315 2/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.50
PTGS2 P35354 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
AKR1C3 P42330 2/20 0.48
HIF1A Q16665 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
AKR1B10 O60218 1/20 0.48
TRPA1 O75762 1/20 0.48
ABCB11 O95342 1/20 0.48
DHFR P00374 1/20 0.48

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
SCHEMBL9806519 0.86 MAPT (0.51) MAPTALOX15KDM4EKMT2AATM
SCHEMBL9806500 0.85 MAPT (0.52) MAPTALOX15KDM4EKMT2AATM
SCHEMBL9806507 0.82 MAPT (0.47) MAPTALOX15KDM4EKMT2AATM
SCHEMBL30593451 0.81 PTGS2 (0.71) MAPTALOX15KDM4EKMT2AATM
SCHEMBL11344390 0.81 PTGS2 (0.71) MAPTALOX15KDM4EKMT2AATM
SCHEMBL19065779 0.80 MAPT (0.79) MAPTALOX15KDM4EKMT2AATM
SCHEMBL16843152 0.78 KDM4E (0.60) MAPTALOX15KDM4EKMT2AATM
SCHEMBL13465152 0.78 MT-CO2 (0.73) MAPTALOX15KDM4EKMT2AATM
SCHEMBL30593456 0.78 MT-CO2 (0.73) MAPTALOX15KDM4EKMT2AATM
SCHEMBL17145917 0.76 MAPT (0.67) MAPTALOX15KDM4EKMT2AATM

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-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US disclosed