SCHEMBL1195192

SCHEMBL1195192

C=CC1(C)CC=C2C(CCC3C(C)(COC(=O)CN4CCN(S(C)(=O)=O)CC4)CCCC23C)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 11/20 0.56
▸ NR1H3 Q13133 3/20 0.55
▸ PTPN1 P18031 1/20 0.52
▸ NR1H2 P55055 1/20 0.32

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
SCHEMBL1195191 1.00 PTGS1 (0.56) PTGS1NR1H3PTPN1NR1H2
SCHEMBL267405 1.00 PTGS1 (0.56) PTGS1NR1H3PTPN1NR1H2
SCHEMBL12522092 0.89 PTGS1 (0.43) PTGS1NR1H3PTPN1
SCHEMBL267408 0.88 PTGS1 (0.51) PTGS1NR1H3PTPN1
SCHEMBL262480 0.88 PTGS1 (0.58) PTGS1NR1H3PTPN1NR1H2
SCHEMBL267398 0.88 PTGS1 (0.58) PTGS1NR1H3PTPN1NR1H2
SCHEMBL267588 0.88 PTGS1 (0.50) PTGS1NR1H3PTPN1
SCHEMBL267085 0.87 PTGS1 (0.59) PTGS1NR1H3PTPN1
SCHEMBL12450194 0.87 PTGS1 (0.59) PTGS1NR1H3PTPN1
SCHEMBL267238 0.81 PTGS1 (0.67) PTGS1NR1H3PTPN1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893299-B2 Acanthoic amide derivatives; inflammation, cancer, cachexia, cardiovascular disease, infections, diabetes, otitis media, sinusitis, transplant rejection NEREUS PHARMACEUTICALS, INC. (US) 2011-02-22 — — US disclosed
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