SCHEMBL5598080

SCHEMBL5598080

Cc1ccc(S(N)(=O)=O)c(C2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
PTGS2 P35354 6/20 0.45
TP53 P04637 2/20 0.40
CASP1 P29466 1/20 0.40
PTGS1 P23219 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL20478167 0.98 PTGDR2 (0.43) PTGDR2PTGS2TP53CASP1PTGS1
SCHEMBL20478180 0.95 CA12 (0.41) PTGDR2PTGS2MAPTALDH1A1ATM
SCHEMBL20478181 0.92 KDM4E (0.41) PTGDR2PTGS2MAPTALDH1A1ATM
SCHEMBL361128 0.84 PTGDR2 (0.49) PTGDR2TP53CASP1SMN1; SMN2LMNA
SCHEMBL5278348 0.82 PTGDR2 (0.47) PTGDR2TP53CASP1SMN1; SMN2LMNA
SCHEMBL2217850 0.81 PTGDR2 (0.46) PTGDR2TP53CASP1SMN1; SMN2LMNA
SCHEMBL6598741 0.80 TYR (0.40) PTGS2TP53SMN1; SMN2LMNAMAPT
SCHEMBL6598743 0.80 TYR (0.40) PTGS2TP53SMN1; SMN2LMNAMAPT
SCHEMBL21438419 0.79 PTGDR2 (0.45) PTGDR2PTGS2SMN1; SMN2LMNAMAPT
SCHEMBL11709601 0.79 TP53 (0.42) PTGDR2TP53CASP1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118984699-A Novel compositions 图莱克斯制药公司 2024-11-19 CN disclosed
CN-118647372-A Liquid resin extended release oral naltrexone formulations for the treatment of autism related disorders 阿达瓦克治疗公司 2024-09-13 CN disclosed
EP-1789493-A1 ALIPHATIC POLYESTER RESIN COMPOSITIONS AND SHAPED ARTICLES 3M Innovative Properties Company (US) 2007-05-30 EP disclosed
EP-1406952-B1 HIGH SOLIDS EMULSIONS OF ELASTOMERIC POLYMERS DOW CORNING (US) 2006-10-04 EP disclosed
EP-1412419-B1 HIGH SOLIDS EMULSIONS OF SILYLATED ELASTOMERIC POLYMERS DOW CORNING (US) 2006-04-12 EP disclosed
WO-2006026111-A1 ALIPHATIC POLYESTER RESIN COMPOSITIONS AND SHAPED ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 WO disclosed
EP-1572795-A1 ALIPHATIC POLYESTER RESIN COMPOSITION 3M Innovative Properties Company (US) 2005-09-14 EP disclosed
EP-1440123-A1 THERMOPLASTIC SILICONE ELASTOMERS FROM COMPATIBILIZED POLYAMIDE RESINS Dow Corning Corporation (US) 2004-07-28 EP disclosed
WO-2004055104-A1 ALIPHATIC POLYESTER RESIN COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-01 WO disclosed
WO-2004009707-A1 POLYAMIDE BASED THERMOPLASTIC SILICONE ELASTOMERS DOW CORNING CORPORATION (US) 2004-01-29 WO disclosed
WO-2003035759-A1 THERMOPLASTIC SILICONE ELASTOMERS FROM COMPATIBILIZED POLYAMIDE RESINS DOW CORNING CORPORATION (US) 2003-05-01 WO disclosed