SCHEMBL4587006

SCHEMBL4587006

CCCCCCCCCCC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](F)C[C@@]21C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.55
▸ LMNA P02545 3/20 0.55
▸ AR P10275 2/20 0.49
▸ PGR P06401 3/20 0.49
▸ HIF1A Q16665 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ NR3C1 P04150 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MLNR O43193 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NR3C2 P08235 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
SCHEMBL16144355 0.85 MAPT (0.66) MAPTLMNAARPGRHIF1A
SCHEMBL16212817 0.78 MAPT (0.66) MAPTLMNAARPGRHIF1A
SCHEMBL6140132 0.77 PGR (0.50) LMNAARPGRHIF1AKMT2A
SCHEMBL11800162 0.76 PGR (0.67) MAPTLMNAARPGRHIF1A
SCHEMBL372672 0.75 CYP3A4 (0.74) MAPTLMNAARPGRHIF1A
SCHEMBL11696763 0.75 CYP3A4 (0.74) MAPTLMNAARPGRHIF1A
SCHEMBL31432443 0.75 CYP3A4 (0.74) MAPTLMNAARPGRHIF1A
SCHEMBL354296 0.75 CYP3A4 (0.74) MAPTLMNAARPGRHIF1A
SCHEMBL8853780 0.75 CYP3A4 (0.74) MAPTLMNAARPGRHIF1A
SCHEMBL11694460 0.75 CYP3A4 (0.74) MAPTLMNAARPGRHIF1A

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-7361645-B2 Androgenic 7-substituted 11-halogen steroids BAYER SCHERING PHARMA AG (DE) 2008-04-22 — — US claimed
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