SCHEMBL9806595

SCHEMBL9806595

COC(=O)c1ccccc1Nc1c(C)ccc(C(C)N(O)C(C)=O)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
MAPT P10636 2/20 0.44
ALOX15 P16050 1/20 0.44
KDM4E B2RXH2 6/20 0.41
POLB P06746 2/20 0.41
ATM Q13315 1/20 0.41
METTL3 Q86U44 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
ALOX12 P18054 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CXCR2 P25025 1/20 0.37
MEN1 O00255 1/20 0.36
AKR1B10 O60218 1/20 0.36
ABCB11 O95342 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
SCHEMBL9806521 0.89 FTO (0.48) PTGS2MAPTMETTL3KMT2AHPGD
SCHEMBL9806524 0.87 METTL3 (0.47) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL9806507 0.85 MAPT (0.47) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL9806512 0.81 PTGS2 (0.61) PTGS2MAPTALOX15METTL3KMT2A
SCHEMBL16656521 0.79 PTGS2 (0.66) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL9806548 0.78 CLCN2 (0.44) PTGS2MAPTKDM4EPOLBMETTL3
SCHEMBL9551829 0.77 PTGS2 (0.46) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL6808925 0.71 PTGS2 (0.62) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL9806510 0.70 FTO (0.59) PTGS2METTL3KMT2AMEN1AKR1B10
SCHEMBL7350437 0.69 PTGS2 (0.55) PTGS2MAPTMETTL3KMT2ATSHR

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 claimed