SCHEMBL13069288

SCHEMBL13069288

CC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@]34O[C@H]4C[C@@]21C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 1/20 0.58
NR3C1 P04150 8/20 0.57
LMNA P02545 6/20 0.57
HIF1A Q16665 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 5/20 0.55
CYP2C9 P11712 2/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PGR P06401 6/20 0.48
NR1I2 O75469 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
SHBG P04278 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SERPINA6 P08185 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
SCHEMBL9623243 0.83 ALDH1A1 (0.48) ALDH1A1MAPK1NR3C1LMNAHIF1A
SCHEMBL9623240 0.83 ALDH1A1 (0.48) ALDH1A1MAPK1NR3C1LMNAHIF1A
SCHEMBL13069736 0.80 HIF1A (0.67) ALDH1A1MAPK1NR3C1LMNAHIF1A
SCHEMBL3397721 0.80 HIF1A (0.67) ALDH1A1MAPK1NR3C1LMNAHIF1A
SCHEMBL11271558 0.80 HIF1A (0.67) ALDH1A1MAPK1NR3C1LMNAHIF1A
SCHEMBL13069286 0.80 NR3C1 (0.67) ALDH1A1NR3C1LMNAHIF1AMEN1
SCHEMBL13069231 0.80 NR3C1 (0.67) ALDH1A1NR3C1LMNAHIF1AMEN1
SCHEMBL8641244 0.80 NR3C1 (0.61) ALDH1A1NR3C1LMNAHIF1AMEN1
SCHEMBL8642587 0.80 NR3C1 (0.61) ALDH1A1NR3C1LMNAHIF1AMEN1
SCHEMBL10427836 0.77 PGR (0.40) ALDH1A1MAPK1NR3C1LMNAHIF1A

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-2246359-A1 Process for obtaining fluorometholone and intermediates therefor Crystal Pharma, S.L.U. (ES) 2010-11-03 EP disclosed
WO-2010122096-A1 PROCESS FOR OBTAINING FLUOROMETHOLONE AND INTERMEDIATES THEREFOR CRYSTAL PHARMA, S.L.U. (ES) 2010-10-28 WO disclosed