SCHEMBL9754414

SCHEMBL9754414

COc1ccc2cc(C(C)c3sc(-c4nccs4)nc3O)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COPS5 Q92905 1/20 0.47
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
ABCB11 O95342 1/20 0.40
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 2/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
RIOK2 Q9BVS4 4/20 0.39
ALOX5 P09917 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
SRC P12931 1/20 0.38
ZAP70 P43403 1/20 0.38

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
SCHEMBL9754168 0.82 COPS5 (0.49) COPS5AKR1C3AKR1C2ABCB11PTGS2
SCHEMBL9754287 0.81 COPS5 (0.47) COPS5AKR1C3AKR1C2ABCB11PTGS2
SCHEMBL9754206 0.81 ALOX5 (0.53) COPS5AKR1C3AKR1C2ABCB11PTGS2
SCHEMBL9754147 0.80 COPS5 (0.47) COPS5AKR1C3AKR1C2ABCB11PTGS2
Potassium SCHEMBL9754024 0.80 ALOX5 (0.52) COPS5AKR1C3AKR1C2ABCB11PTGS2
SCHEMBL9754018 0.80 ALOX5 (0.52) COPS5AKR1C3AKR1C2ABCB11PTGS2
SCHEMBL9803509 0.79 SMN1; SMN2 (0.49) COPS5TSHRCYP1A2LMNAMAPT
SCHEMBL9803892 0.77 COPS5 (0.44) COPS5AKR1C3AKR1C2ABCB11PTGS2
SCHEMBL9803898 0.76 COPS5 (0.46) COPS5AKR1C3AKR1C2ABCB11PTGS2
SCHEMBL9754184 0.70 COPS5 (0.47) COPS5AKR1C3AKR1C2ABCB11PTGS2

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