SCHEMBL11699038

SCHEMBL11699038

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C(O)C[C@@H]4[C@H]3CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 4/20 0.71
▸ ALDH1A1 P00352 3/20 0.56
▸ SLC22A1 O15245 2/20 0.56
▸ SHBG P04278 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ CYP3A4 P08684 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ GPBAR1 Q8TDU6 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ PMP22 Q01453 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL16741272 0.89 SERPINA6 (0.71) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL3816344 0.87 SERPINA6 (0.72) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL11511962 0.83 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL14614867 0.83 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL18562029 0.83 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL20342422 0.83 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL4265197 0.83 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL17831160 0.83 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL11591462 0.83 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL17831140 0.83 SERPINA6 (1.00) SERPINA6ALDH1A1SLC22A1SHBGTHRB

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-4034749-A Intrauterine contraceptive device SCHERING AKTIENGESELLSCHAFT (DT) 1977-07-12 — — US disclosed
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