SCHEMBL9754045

SCHEMBL9754045

COC(=O)c1ccc(-c2sc(C(C)c3ccc4cc(OC)ccc4c3)nc2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COPS5 Q92905 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PLAU P00749 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PTGS2 P35354 3/20 0.43
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
PTGS1 P23219 2/20 0.43
TSHR P16473 2/20 0.43
CDC42 P60953 1/20 0.43
RAC1 P63000 1/20 0.43
CYP1A2 P05177 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL9754190 0.89 ALOX5 (0.49) COPS5CYP11B1CYP11B2TDP1L3MBTL1
SCHEMBL9754071 0.85 ALOX5 (0.53) COPS5CYP11B1CYP11B2TDP1L3MBTL1
SCHEMBL1894316 0.72 CA1 (0.57) CYP11B1CYP11B2PLAUTDP1L3MBTL1
SCHEMBL9754095 0.71 LMNA (0.43) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL15897010 0.71 CYP11B1 (0.69) CYP11B1CYP11B2PLAUCYP1A2MAPT
SCHEMBL9754184 0.68 COPS5 (0.47) COPS5PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL1856468 0.68 KDM4E (0.70) CYP11B1CYP11B2PLAUL3MBTL1CYP1A2
SCHEMBL9754316 0.68 ALOX5 (0.48) ALOX5
SCHEMBL8993107 0.67 NPC1 (0.55) L3MBTL1LMNAMAPTMEN1ALDH1A1
SCHEMBL1289670 0.66 PLA2G2A (0.57) CYP11B1CYP11B2PLAUCYP1A2KDM4E

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