SCHEMBL11782012

SCHEMBL11782012

COc1ccc2cc(C(O)C(N)=O)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.60
AKR1C3 P42330 6/20 0.59
AKR1C2 P52895 6/20 0.59
PTGS2 P35354 6/20 0.59
PTGS1 P23219 3/20 0.59
TSHR P16473 2/20 0.59
CDC42 P60953 1/20 0.59
RAC1 P63000 1/20 0.59
CYP1A2 P05177 1/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
AKR1C1 Q04828 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ABCB11 O95342 1/20 0.53
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL20325965 0.85 PARP10 (0.49) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11778937 0.85 AKR1C3 (0.71) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5528055 0.84 CA1 (0.53) ALOX5
SCHEMBL15517793 0.84 CA1 (0.53) ALOX5
SCHEMBL9119592 0.83 PTGS2 (0.73) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL30380801 0.83 PTGS2 (0.73) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL30760568 0.83 PTGS2 (0.73) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL263373 0.83 PTGS2 (0.73) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL1478228 0.83 PTGS2 (0.73) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11783271 0.82 ALOX5 (0.58) ALOX5AKR1C3AKR1C2PTGS2PTGS1

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-3931269-A ANTIINFLAMMATORY WILLIAM H. RORER, INC. (US) 1976-01-06 US disclosed