SCHEMBL7703091

SCHEMBL7703091

CC[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@H](C)O)[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SERPINA6 P08185 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SLC22A1 O15245 1/20 0.47
▸ SHBG P04278 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ CYP17A1 P05093 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PGR P06401 5/20 0.46
▸ LMNA P02545 1/20 0.41
▸ CYP19A1 P11511 2/20 0.39
▸ AR P10275 4/20 0.39
▸ NR3C1 P04150 3/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP3A4 P08684 1/20 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
SCHEMBL7891295 1.00 SERPINA6 (0.47) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL7703094 1.00 SERPINA6 (0.47) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL3452725 0.85 SERPINA6 (0.61) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL3452893 0.81 MAPT (0.51) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL6462803 0.78 ALDH1A1 (0.71) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL6466563 0.78 ALDH1A1 (0.71) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL6463123 0.78 ALDH1A1 (0.71) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL6462806 0.78 ALDH1A1 (0.71) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL17831182 0.78 ALDH1A1 (0.71) SERPINA6ALDH1A1SLC22A1SHBGTHRB
SCHEMBL17831148 0.78 ALDH1A1 (0.71) 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
EP-1163259-B1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL NV (NL) 2002-11-20 — — EP disclosed
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