SCHEMBL8122137

SCHEMBL8122137

COc1ccc2[nH]c(C)c(C(CSCC(N)=O)C(=O)OC(=O)c3ccc(Cl)cc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.45
▸ PTGS2 P35354 4/20 0.41
▸ AKR1C2 P52895 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MTNR1A P48039 2/20 0.37
▸ MTNR1B P49286 2/20 0.37
▸ MAP2 P11137 1/20 0.37
▸ HTR1D P28221 1/20 0.36
▸ HTR6 P50406 1/20 0.36

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
SCHEMBL11832981 0.84 TRPV1 (0.51) TRPV1PTGS2AKR1C2ALDH1A1MAPT
SCHEMBL11189245 0.81 TRPV1 (0.45) TRPV1PTGS2AKR1C2ALDH1A1MAPT
SCHEMBL11557313 0.80 TRPV1 (0.45) TRPV1PTGS2AKR1C2ALDH1A1MAPT
SCHEMBL8686345 0.79 TRPV1 (0.50) TRPV1AKR1C2ALDH1A1MAPTNPC1
SCHEMBL8031503 0.78 TRPV1 (0.43) TRPV1PTGS2AKR1C2ALDH1A1MAPT
SCHEMBL11212906 0.77 TRPV1 (0.42) TRPV1AKR1C2ALDH1A1MAPTNPC1
SCHEMBL9293018 0.77 TRPV1 (0.42) TRPV1AKR1C2ALDH1A1MAPTNPC1
SCHEMBL8565290 0.74 PTGS2 (0.40) TRPV1PTGS2AKR1C2ALDH1A1MAPT
SCHEMBL9359811 0.72 AKR1C2 (0.62) PTGS2AKR1C2MAPTRAB9AHDAC1
SCHEMBL8891258 0.72 AKR1C2 (0.45) TRPV1AKR1C2ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019387-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 2000-07-19 — — EP disclosed
EP-0904272-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1999-03-31 — — EP disclosed
WO-1997028155-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-07 — — WO disclosed
WO-1997028144-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-07 — — WO disclosed
EP-0787130-A1 DI-TERT-BUTYLPHENOL COMPOUNDS WITH HETEROCYCLIC MOIETY, USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-06 — — EP disclosed
EP-0779886-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-06-25 — — EP disclosed
WO-1996012710-A1 DI-TERT-BUTYLPHENOL COMPOUNDS WITH HETEROCYCLIC MOIETY, USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-05-02 — — WO disclosed
WO-1996007651-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-03-14 — — WO disclosed
WO-1995032175-A1 DI-TERT-BUTYLPHENOL COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1995-11-30 — — WO disclosed
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