SCHEMBL21067996

SCHEMBL21067996

CC12CCC3C4CCC(=O)C=C4CCC3C1CCC2OC(=O)CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.84
▸ LMNA P02545 4/20 0.84
▸ SERPINA6 P08185 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ SLC22A1 O15245 1/20 0.65
▸ SHBG P04278 1/20 0.65
▸ THRB P10828 1/20 0.65
▸ HIF1A Q16665 2/20 0.62
▸ MCL1 Q07820 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ PGR P06401 2/20 0.54
▸ NR1I2 O75469 2/20 0.54
▸ CYP19A1 P11511 3/20 0.54
▸ CYP3A4 P08684 2/20 0.53
▸ NR3C1 P04150 1/20 0.53
▸ CYP17A1 P05093 1/20 0.53
▸ AR P10275 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ TSHR P16473 1/20 0.53

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
SCHEMBL17419472 0.96 MAPT (0.78) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL23752494 0.96 MAPT (0.78) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL343128 0.93 MAPT (0.79) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL17419490 0.92 MAPT (0.98) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL11121455 0.92 MAPT (0.75) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL11351978 0.91 MAPT (1.00) MAPTLMNASERPINA6ALDH1A1SLC22A1
Nandrolone Decanoate SCHEMBL10710160 0.91 MAPT (1.00) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL14568852 0.91 MAPT (1.00) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL11593159 0.91 MAPT (1.00) MAPTLMNASERPINA6ALDH1A1SLC22A1
SCHEMBL3850364 0.91 MAPT (1.00) MAPTLMNASERPINA6ALDH1A1SLC22A1

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
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 — — US disclosed
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