SCHEMBL12887758

SCHEMBL12887758

C=C[C@@]1(C)CCC=C2[C@H]1CCC1[C@](C)(C(=O)OC)CCC[C@@]21C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 6/20 0.46
▸ NR1H3 Q13133 3/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ SOD1 P00441 1/20 0.44
▸ POLA1 P09884 2/20 0.43
▸ CYP3A4 P08684 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ NR1H2 P55055 2/20 0.37

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
SCHEMBL6008134 1.00 PTGS1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL12450207 1.00 PTGS1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL267488 1.00 PTGS1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL267401 1.00 PTGS1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL267773 0.90 POLA1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL14610128 0.90 POLA1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL6009627 0.90 POLA1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL267397 0.90 POLA1 (0.46) PTGS1NR1H3PTPN1SOD1POLA1
SCHEMBL266932 0.87 NR1H3 (0.58) PTGS1NR1H3PTPN1POLA1
SCHEMBL6008298 0.87 NR1H3 (0.58) PTGS1NR1H3PTPN1POLA1

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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