SCHEMBL16741271

SCHEMBL16741271

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 5/20 0.67
▸ CYP3A4 P08684 5/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ CYP2C9 P11712 3/20 0.53
▸ HIF1A Q16665 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ SLC22A1 O15245 2/20 0.53
▸ SHBG P04278 2/20 0.53
▸ GPBAR1 Q8TDU6 2/20 0.53
▸ NR3C1 P04150 2/20 0.53
▸ PGR P06401 2/20 0.53
▸ NR3C2 P08235 2/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ SLC22A2 O15244 1/20 0.53

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
SCHEMBL6828230 0.90 SERPINA6 (0.69) SERPINA6CYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL8335218 0.86 SERPINA6 (0.64) SERPINA6CYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL28509865 0.85 SERPINA6 (0.62) SERPINA6CYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL3225293 0.85 SHBG (0.65) SERPINA6CYP3A4ALDH1A1LMNATSHR
SCHEMBL5550822 0.85 SHBG (0.65) SERPINA6CYP3A4ALDH1A1LMNATSHR
SCHEMBL7776459 0.84 MAPT (0.50) SERPINA6CYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL4265197 0.81 SERPINA6 (1.00) SERPINA6CYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL17831160 0.81 SERPINA6 (1.00) SERPINA6CYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL14614867 0.81 SERPINA6 (1.00) SERPINA6CYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL20342422 0.81 SERPINA6 (1.00) SERPINA6CYP3A4SMN1; SMN2ALDH1A1LMNA

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-2015075693-A1 PROCESS FOR THE SYNTHESIS OF (11 BETA.17ALPHA)-17-ACETOXY-1 1 -METHYL-19-NORPREGN-4-EN-3.20-DIONE RICHTER GEDEON NYRT. (HU) 2015-05-28 — — WO claimed
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