SCHEMBL14610128

SCHEMBL14610128

COC(=O)C1(C)CCC[C@@]2(C)C3=CCC[C@](C)(C=O)C3CCC12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 4/20 0.46
▸ SOD1 P00441 1/20 0.45
▸ CYP3A4 P08684 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PTGS1 P23219 3/20 0.40
▸ NR1H3 Q13133 3/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ NR1H2 P55055 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ ABHD16A O95870 1/20 0.35

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
SCHEMBL267773 1.00 POLA1 (0.46) POLA1SOD1CYP3A4MAPTMEN1
SCHEMBL6009627 1.00 POLA1 (0.46) POLA1SOD1CYP3A4MAPTMEN1
SCHEMBL267397 1.00 POLA1 (0.46) POLA1SOD1CYP3A4MAPTMEN1
SCHEMBL267401 0.90 PTGS1 (0.46) POLA1SOD1CYP3A4MAPTMEN1
SCHEMBL12450207 0.90 PTGS1 (0.46) POLA1SOD1CYP3A4MAPTMEN1
SCHEMBL12887758 0.90 PTGS1 (0.46) POLA1SOD1CYP3A4MAPTMEN1
SCHEMBL6008134 0.90 PTGS1 (0.46) POLA1SOD1CYP3A4MAPTMEN1
SCHEMBL267488 0.90 PTGS1 (0.46) POLA1SOD1CYP3A4MAPTMEN1
SCHEMBL280154 0.84 SOD1 (0.47) POLA1SOD1CYP3A4MAPTMEN1
SCHEMBL280188 0.84 SOD1 (0.47) POLA1SOD1CYP3A4MAPTMEN1

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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