SCHEMBL9754071

SCHEMBL9754071

COc1ccc2cc(C(C)c3nc(O)c(-c4ccccc4)s3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.53
COPS5 Q92905 1/20 0.47
PTGS2 P35354 4/20 0.45
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45
PTGS1 P23219 2/20 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
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
ABCB11 O95342 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE2A O00408 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 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
SCHEMBL9754190 0.93 ALOX5 (0.49) ALOX5COPS5PTGS2AKR1C3AKR1C2
SCHEMBL9754045 0.85 COPS5 (0.45) ALOX5COPS5PTGS2AKR1C3AKR1C2
SCHEMBL9754316 0.83 ALOX5 (0.48) ALOX5
SCHEMBL9754206 0.79 ALOX5 (0.53) ALOX5COPS5PTGS2AKR1C3AKR1C2
Potassium SCHEMBL9754024 0.78 ALOX5 (0.52) ALOX5COPS5PTGS2AKR1C3AKR1C2
SCHEMBL9754018 0.78 ALOX5 (0.52) ALOX5COPS5PTGS2AKR1C3AKR1C2
SCHEMBL9754000 0.74 ALOX5 (0.46) ALOX5PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL4669037 0.73 AKR1C3 (0.58) COPS5PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL9754184 0.73 COPS5 (0.47) COPS5PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL9754402 0.71 ALOX5 (0.56) ALOX5PTGS2AKR1C3AKR1C2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991008744-A1 THIAZOLE LIPOXYGENASE-INHIBITING COMPOUNDS DERIVED FROM NON-STEROIDAL ANTIINFLAMMATORY CARBOXYLIC ACIDS ABBOTT LABORATORIES (US) 1991-06-27 WO claimed
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