SCHEMBL5551986

SCHEMBL5551986

CCCCCCCCCCCCOC(=O)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 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.59
▸ LMNA P02545 5/20 0.59
▸ ALDH1A1 P00352 2/20 0.42
▸ SERPINA6 P08185 2/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ SHBG P04278 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PDK1 Q15118 2/20 0.41
▸ PDK2 Q15119 2/20 0.41
▸ PDK3 Q15120 2/20 0.41
▸ PDK4 Q16654 2/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP3A4 P08684 4/20 0.40
▸ AR P10275 3/20 0.40
▸ PGR P06401 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ESR1 P03372 2/20 0.40

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
SCHEMBL5546260 0.91 MAPT (0.58) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL5550058 0.91 MAPT (0.58) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL5550065 0.85 MAPT (0.60) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL5550686 0.85 MAPT (0.60) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL5550789 0.85 MAPT (0.53) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL7776464 0.83 MAPT (0.52) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL5552000 0.80 MAPT (0.57) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL5547488 0.80 MAPT (0.57) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL5550823 0.79 MAPT (0.56) MAPTLMNAALDH1A1SERPINA6SLC22A1
SCHEMBL5547510 0.79 MAPT (0.56) MAPTLMNAALDH1A1SERPINA6SLC22A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846434-A1 NANDROLONE 17ß-CARBONATES Government of the United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2007-10-24 — — EP claimed
WO-2006083618-A1 NANDROLONE 17ß-CARBONATES GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-08-10 — — WO claimed
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