SCHEMBL6024700

SCHEMBL6024700

CC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C(O)C[C@]4(C)[C@H]3CC[C@@]12C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.63
CYP19A1 P11511 8/20 0.56
SERPINA6 P08185 2/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2C9 P11712 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NR3C1 P04150 2/20 0.46
PGR P06401 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
SHBG P04278 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAPT P10636 1/20 0.43
MAPK3 P27361 1/20 0.43
BLM P54132 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.41

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
Algestone Acetonide SCHEMBL42582 0.86 CYP17A1 (0.85) CYP17A1CYP19A1SERPINA6CYP3A4CYP2C9
SCHEMBL11278595 0.81 CYP17A1 (0.55) CYP17A1CYP19A1SERPINA6CYP3A4CYP2C9
SCHEMBL11389524 0.79 NR3C1 (0.59) CYP17A1CYP19A1CYP3A4NR3C1PGR
SCHEMBL29409283 0.77 CYP17A1 (1.00) CYP17A1CYP19A1SERPINA6CYP3A4CYP2C9
SCHEMBL7993136 0.77 CYP17A1 (1.00) CYP17A1CYP19A1SERPINA6CYP3A4CYP2C9
SCHEMBL4541005 0.77 CYP17A1 (1.00) CYP17A1CYP19A1SERPINA6CYP3A4CYP2C9
SCHEMBL29500568 0.77 CYP17A1 (1.00) CYP17A1CYP19A1SERPINA6CYP3A4CYP2C9
SCHEMBL4539514 0.77 CYP17A1 (1.00) CYP17A1CYP19A1SERPINA6CYP3A4CYP2C9
SCHEMBL11880147 0.77 HIF1A (0.62) CYP17A1SERPINA6CYP3A4CYP2C9HSD17B10
SCHEMBL11236473 0.74 CYP17A1 (0.60) CYP17A1CYP19A1SERPINA6CYP3A4CYP2C9

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-1680076-A1 PHARMACEUTICAL AND COSMETIC FORMULATIONS FOR TREATING FINGERNAILS BioEqual AG (CH) 2006-07-19 EP disclosed
WO-2005018585-A1 PHARMACEUTICAL AND COSMETIC FORMULATIONS FOR TREATING FINGERNAILS BIOEQUAL AG (CH) 2005-03-03 WO disclosed