SCHEMBL9754159

SCHEMBL9754159

COc1ccc2cc(C(C)c3sc(-c4ccccc4)nc3OC(C)=O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
COPS5 Q92905 1/20 0.53
ALOX5 P09917 1/20 0.51
AKR1C3 P42330 6/20 0.45
AKR1C2 P52895 6/20 0.45
PTGS2 P35354 4/20 0.45
PTGS1 P23219 3/20 0.45
TSHR P16473 2/20 0.45
CDC42 P60953 1/20 0.45
RAC1 P63000 1/20 0.45
CYP1A2 P05177 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
PDE2A O00408 1/20 0.42
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.41
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL9754050 0.92 COPS5 (0.53) COPS5ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL9754206 0.82 ALOX5 (0.53) COPS5ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL9754018 0.81 ALOX5 (0.52) COPS5ALOX5AKR1C3AKR1C2PTGS2
Potassium SCHEMBL9754024 0.81 ALOX5 (0.52) COPS5ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL9803993 0.78 COPS5 (0.47) COPS5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL9754168 0.73 COPS5 (0.49) COPS5ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL9754012 0.70 COPS5 (0.52) COPS5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL9754071 0.69 ALOX5 (0.53) COPS5ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL20414569 0.69 AKR1C3 (0.60) ALOX5AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL7823497 0.69 ALOX5 (0.73) ALOX5MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032588-A Non-steroidal antiinflammatory ABBOTT LABORATORIES (US) 1991-07-16 US disclosed
WO-1991008744-A1 THIAZOLE LIPOXYGENASE-INHIBITING COMPOUNDS DERIVED FROM NON-STEROIDAL ANTIINFLAMMATORY CARBOXYLIC ACIDS ABBOTT LABORATORIES (US) 1991-06-27 WO disclosed