SCHEMBL16741266

SCHEMBL16741266

CC1C[C@H]2C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 5/20 0.69
▸ SERPINA6 P08185 4/20 0.69
▸ SLC22A1 O15245 1/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ THRB P10828 1/20 0.69
▸ ESR2 Q92731 3/20 0.62
▸ ESR1 P03372 1/20 0.62
▸ PDK1 Q15118 2/20 0.60
▸ PDK2 Q15119 2/20 0.60
▸ PDK3 Q15120 2/20 0.60
▸ PDK4 Q16654 2/20 0.60
▸ CYP19A1 P11511 5/20 0.50
▸ AR P10275 5/20 0.50
▸ LMNA P02545 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ NR3C1 P04150 2/20 0.47
▸ PGR P06401 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ SNCA P37840 2/20 0.47

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
SCHEMBL517355 1.00 SHBG (0.69) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL16188590 1.00 SHBG (0.69) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL7615553 1.00 SHBG (0.69) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL16188696 1.00 SHBG (0.69) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL3816344 0.90 SERPINA6 (0.72) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL16741272 0.85 SERPINA6 (0.71) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL1711107 0.85 SHBG (0.68) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL7705296 0.85 SERPINA6 (0.65) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL1711002 0.85 SERPINA6 (0.68) SHBGSERPINA6SLC22A1ALDH1A1THRB
SCHEMBL12615684 0.84 SERPINA6 (0.64) SHBGSERPINA6SLC22A1ALDH1A1THRB

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 disclosed
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