SCHEMBL14610364

SCHEMBL14610364

C[C@@H](NC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@](C)(I)CC3CCC12)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 11/20 0.53
▸ NR1H3 Q13133 3/20 0.53
▸ PTPN1 P18031 1/20 0.53
▸ NR1H2 P55055 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
SCHEMBL823257 0.91 PTGS1 (0.57) PTGS1NR1H3PTPN1NR1H2
SCHEMBL10217012 0.88 PTGS1 (0.54) PTGS1NR1H3PTPN1NR1H2
SCHEMBL280440 0.87 PTGS1 (0.55) PTGS1NR1H3PTPN1NR1H2
SCHEMBL280497 0.87 PTGS1 (0.55) PTGS1NR1H3PTPN1NR1H2
SCHEMBL12522450 0.86 PTGS1 (0.51) PTGS1NR1H3PTPN1
SCHEMBL267210 0.86 PTGS1 (0.74) PTGS1NR1H3PTPN1NR1H2
SCHEMBL12704585 0.86 PTGS1 (0.60) PTGS1NR1H3PTPN1NR1H2
SCHEMBL267123 0.86 PTGS1 (0.74) PTGS1NR1H3PTPN1NR1H2
SCHEMBL12275481 0.86 PTGS1 (0.74) PTGS1NR1H3PTPN1NR1H2
SCHEMBL12704589 0.86 PTGS1 (0.60) 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
WO-2007015757-A2 INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR-A MODULATORS; SYNTHESES OF SUCH MODULATORS AND METHODS OF USING SUCH MODULATORS NEREUS PHARMACEUTICALS, INC. (US) 2007-02-08 — — WO disclosed
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