SCHEMBL7776459

SCHEMBL7776459

CC(=O)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 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ SERPINA6 P08185 2/20 0.47
▸ CYP3A4 P08684 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ BRCA1 P38398 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ SLC22A1 O15245 1/20 0.45
▸ SHBG P04278 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CYP19A1 P11511 5/20 0.45
▸ ESR1 P03372 2/20 0.45

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
SCHEMBL11646902 0.90 MAPT (0.50) MAPTLMNASERPINA6CYP3A4MEN1
SCHEMBL16741271 0.84 SERPINA6 (0.67) MAPTLMNASERPINA6CYP3A4MEN1
SCHEMBL3225293 0.82 SHBG (0.65) MAPTLMNASERPINA6CYP3A4MAPK1
SCHEMBL5550822 0.82 SHBG (0.65) MAPTLMNASERPINA6CYP3A4MAPK1
SCHEMBL2930366 0.82 MAPT (0.71) MAPTLMNASERPINA6CYP3A4MEN1
SCHEMBL13804528 0.82 MAPT (0.71) MAPTLMNASERPINA6CYP3A4MEN1
SCHEMBL17302789 0.82 MAPT (0.71) MAPTLMNASERPINA6CYP3A4MEN1
SCHEMBL13177160 0.82 MAPT (0.71) MAPTLMNASERPINA6CYP3A4MEN1
SCHEMBL13415930 0.80 CYP17A1 (0.52) MAPTLMNASERPINA6CYP3A4MEN1
SCHEMBL28509865 0.78 SERPINA6 (0.62) MAPTLMNASERPINA6CYP3A4MEN1

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-1128810-A1 DRUG DELIVERY DEVICE, ESPECIALLY FOR THE DELIVERY OF ANDROGENS LEIRAS OY (FI) 2001-09-05 — — EP disclosed
WO-2000028967-A1 DRUG DELIVERY DEVICE, ESPECIALLY FOR THE DELIVERY OF ANDROGENS LEIRAS OY (FI) 2000-05-25 — — WO disclosed
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