SCHEMBL8847201

SCHEMBL8847201

O=S(=O)(O)CCc1cc(CCS(=O)(=O)O)nc(CCS(=O)(=O)O)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SLC6A6 P31641 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ BLM P54132 1/20 0.31

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
SCHEMBL8847298 0.87 PTGS2 (0.31) LMNA
SCHEMBL8847199 0.79 PTGS1 (0.31) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL8847552 0.79 LMNA (0.36) LMNA
SCHEMBL23794707 0.78 S1PR2 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL8847307 0.77 KCNH2 (0.43) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL8847221 0.75 HTR2A (0.41) LMNABLM
SCHEMBL14399649 0.72 CA2 (0.39) PTGS1PDE4A
SCHEMBL778663 0.72 DAO (0.38) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL30512240 0.72 ACP1 (0.42) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL8847296 0.72 TBXAS1 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603557-B1 Catalyst compositions and catalytic processes PHILLIPS PETROLEUM CO (US) 1997-07-30 — — EP disclosed
US-5461126-A Process of polymerizing olefins using organonickel catalyst compositions PHILLIPS PETROLEUM COMPANY (US) 1995-10-24 — — US disclosed
US-5332708-A Ethylene polymerization catalyst, organonickel compound and a heterocyclic nitrogen compound PHILLIPS PETROLEUM COMPANY (US) 1994-07-26 — — US disclosed
EP-0603557-A1 Catalyst compositions and catalytic processes PHILLIPS PETROLEUM COMPANY (US) 1994-06-29 — — EP disclosed
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