SCHEMBL16741272

SCHEMBL16741272

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C(C)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
▸ CYP3A4 P08684 7/20 0.50
▸ LMNA P02545 4/20 0.50
▸ CYP2C9 P11712 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HIF1A Q16665 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ SLC22A1 O15245 2/20 0.50
▸ SHBG P04278 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ GPBAR1 Q8TDU6 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ NR3C1 P04150 2/20 0.50
▸ PGR P06401 2/20 0.50
▸ THPO P40225 2/20 0.50
▸ PMP22 Q01453 2/20 0.50
▸ KMT2A Q03164 2/20 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
SCHEMBL11699038 0.89 SERPINA6 (0.71) SERPINA6CYP3A4LMNACYP2C9ALDH1A1
SCHEMBL16188696 0.85 SHBG (0.69) SERPINA6CYP3A4LMNAALDH1A1MAPK1
SCHEMBL16188590 0.85 SHBG (0.69) SERPINA6CYP3A4LMNAALDH1A1MAPK1
SCHEMBL7615553 0.85 SHBG (0.69) SERPINA6CYP3A4LMNAALDH1A1MAPK1
SCHEMBL16741266 0.85 SHBG (0.69) SERPINA6CYP3A4LMNAALDH1A1MAPK1
SCHEMBL517355 0.85 SHBG (0.69) SERPINA6CYP3A4LMNAALDH1A1MAPK1
SCHEMBL7776464 0.84 MAPT (0.52) SERPINA6CYP3A4LMNAALDH1A1HIF1A
SCHEMBL14614867 0.83 SERPINA6 (1.00) SERPINA6CYP3A4LMNACYP2C9ALDH1A1
SCHEMBL20342422 0.83 SERPINA6 (1.00) SERPINA6CYP3A4LMNACYP2C9ALDH1A1
SCHEMBL4265197 0.83 SERPINA6 (1.00) SERPINA6CYP3A4LMNACYP2C9ALDH1A1

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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