SCHEMBL9754012

SCHEMBL9754012

COc1ccc2cc(C(C)c3nc(C(=O)c4ccccc4)c(C(C)c4ccc(CC(C)C)cc4)s3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
COPS5 Q92905 1/20 0.52
ALOX5AP P20292 3/20 0.41
AKR1C3 P42330 6/20 0.40
AKR1C2 P52895 6/20 0.40
PTGS1 P23219 3/20 0.40
AKR1C1 Q04828 1/20 0.40
PTGS2 P35354 4/20 0.40
TSHR P16473 2/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40
CYP1A2 P05177 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 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
SCHEMBL9803993 0.84 COPS5 (0.47) COPS5ALOX5APAKR1C3AKR1C2PTGS1
SCHEMBL9754184 0.81 COPS5 (0.47) COPS5ALOX5APAKR1C3AKR1C2PTGS1
SCHEMBL9803803 0.74 COPS5 (0.46) COPS5ALOX5APAKR1C3AKR1C2PTGS1
Ketoprofen SCHEMBL7624389 0.73 PTGS2 (0.59) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL9754159 0.70 COPS5 (0.53) COPS5AKR1C3AKR1C2PTGS1AKR1C1
Naproxen SCHEMBL16050244 0.70 AKR1C3 (0.76) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
Naproxen SCHEMBL1444674 0.70 AKR1C3 (0.76) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
Naproxen SCHEMBL8555553 0.70 AKR1C3 (0.76) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL9754050 0.68 COPS5 (0.53) COPS5AKR1C3AKR1C2PTGS1AKR1C1
SCHEMBL9803514 0.67 S1PR1 (0.42) ALOX5APAKR1C3AKR1C2PTGS1PTGS2

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