SCHEMBL6236389

SCHEMBL6236389

C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@@]43C)[C@@H]1CC[C@@H]2C(=S)OCF

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
AKR1B10 O60218 2/20 0.46
AKR1B1 P15121 2/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
EFNA1 P20827 1/20 0.46
EPHA2 P29317 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
G6PD P11413 5/20 0.44
CYP19A1 P11511 1/20 0.43
CYP3A4 P08684 2/20 0.42
PMP22 Q01453 2/20 0.42

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
SCHEMBL191774 1.00 KMT2A (0.46) KMT2AAKR1B10AKR1B1MEN1LMNA
SCHEMBL5481340 0.81 MEN1 (0.52) KMT2AAKR1B10AKR1B1MEN1LMNA
SCHEMBL5481343 0.81 MEN1 (0.52) KMT2AAKR1B10AKR1B1MEN1LMNA
SCHEMBL3988188 0.79 G6PD (0.58) KMT2AAKR1B10AKR1B1MEN1LMNA
SCHEMBL3988193 0.79 G6PD (0.58) KMT2AAKR1B10AKR1B1MEN1LMNA
SCHEMBL27718581 0.77 MEN1 (0.53) KMT2AAKR1B10AKR1B1MEN1LMNA
SCHEMBL11350178 0.77 G6PD (0.72) KMT2AAKR1B10AKR1B1MEN1LMNA
SCHEMBL11226874 0.76 MEN1 (0.48) KMT2AAKR1B10AKR1B1MEN1LMNA
SCHEMBL11226868 0.76 MEN1 (0.48) KMT2AAKR1B10AKR1B1MEN1LMNA
SCHEMBL23872369 0.76 GABRA1 (0.69) KMT2AAKR1B10AKR1B1MEN1LMNA

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
EP-1526139-A1 A process for preparing highly pure androstane 17-beta-carboxylic acids and androstane 17-beta-carbothioic acid fluoromethyl esters S.N.I.F.F. Italia S.P.A. (IT) 2005-04-27 EP disclosed