SCHEMBL6968051

SCHEMBL6968051

COc1ccc(S(=O)(=O)n2nc(OCC(=O)c3ccc(Cl)cc3)c3cc(OC)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.46
AKR1C2 P52895 9/20 0.46
PKM P14618 1/20 0.44
HTR6 P50406 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS1 P23219 2/20 0.41
AKR1C4 P17516 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL6965033 0.99 AKR1C3 (0.44) AKR1C3AKR1C2PKMHTR6PTGDR2
SCHEMBL6975974 0.95 AKR1C3 (0.48) AKR1C3AKR1C2HTR6PTGDR2PTGES
SCHEMBL6967255 0.93 AKR1C3 (0.42) AKR1C3AKR1C2PKMHTR6PTGDR2
SCHEMBL6967437 0.86 KMT2A (0.43) AKR1C3AKR1C2HTR6PTGESALOX5
SCHEMBL6970702 0.85 HTR6 (0.47) AKR1C3AKR1C2PKMHTR6PTGDR2
SCHEMBL6968667 0.84 HTR6 (0.48) AKR1C3AKR1C2PKMHTR6PTGDR2
SCHEMBL6977877 0.83 HTR6 (0.46) PKMHTR6PTGS2ALDH1A1GAA
SCHEMBL6972542 0.81 MAPT (0.47) AKR1C3AKR1C2HTR6PTGESALOX5
SCHEMBL6975027 0.80 HTR6 (0.45) AKR1C3AKR1C2HTR6PTGESALOX5
SCHEMBL6961975 0.80 PTGDR (0.42) AKR1C3AKR1C2PKMHTR6PTGDR2

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
EP-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP claimed
EP-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP disclosed