SCHEMBL9806500

SCHEMBL9806500

COC(=O)c1ccccc1Nc1cccc(C(C)O)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ALOX15 P16050 1/20 0.52
PTGS2 P35354 2/20 0.52
KDM4E B2RXH2 5/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 3/20 0.50
ATM Q13315 2/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.45
HPGD P15428 3/20 0.45
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GLA P06280 1/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
MT-CO2 P00403 1/20 0.42
TTR P02766 1/20 0.42

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
SCHEMBL9806523 0.87 MAPT (0.50) MAPTALOX15PTGS2KDM4EKMT2A
SCHEMBL9806493 0.86 MEN1 (0.57) MAPTPTGS2KMT2AHPGDTDP1
SCHEMBL9806508 0.85 MAPT (0.54) MAPTALOX15PTGS2KDM4EKMT2A
SCHEMBL9551829 0.83 PTGS2 (0.46) MAPTALOX15PTGS2KDM4EKMT2A
SCHEMBL19065779 0.79 MAPT (0.79) MAPTALOX15PTGS2KDM4EKMT2A
SCHEMBL16843152 0.77 KDM4E (0.60) MAPTALOX15KDM4EKMT2AGAA
SCHEMBL9806492 0.77 MAPT (0.54) MAPTALOX15PTGS2KDM4EKMT2A
SCHEMBL9806587 0.75 MAPT (0.51) MAPTALOX15PTGS2KDM4EKMT2A
SCHEMBL9806519 0.75 MAPT (0.51) MAPTALOX15PTGS2KDM4EKMT2A
SCHEMBL13465152 0.74 MT-CO2 (0.73) MAPTALOX15PTGS2KDM4EKMT2A

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