SCHEMBL13069736

SCHEMBL13069736

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.67
CYP3A4 P08684 8/20 0.67
NR3C1 P04150 5/20 0.67
PGR P06401 5/20 0.67
LMNA P02545 4/20 0.67
NR1I2 O75469 2/20 0.67
CYP2C9 P11712 2/20 0.67
GAA P10253 1/20 0.67
HTT P42858 1/20 0.67
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
PDE4D Q08499 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL11271558 1.00 HIF1A (0.67) HIF1ACYP3A4NR3C1PGRLMNA
SCHEMBL3397721 1.00 HIF1A (0.67) HIF1ACYP3A4NR3C1PGRLMNA
SCHEMBL11272815 0.85 CYP3A4 (0.49) HIF1ACYP3A4NR3C1PGRLMNA
SCHEMBL9624264 0.83 CYP3A4 (0.47) HIF1ACYP3A4NR3C1PGRLMNA
SCHEMBL11271575 0.82 HIF1A (0.79) HIF1ACYP3A4NR3C1PGRLMNA
Fluorometholone SCHEMBL23975162 0.80 HIF1A (1.00) HIF1ACYP3A4NR3C1PGRLMNA
Fluorometholone SCHEMBL9415488 0.80 HIF1A (1.00) HIF1ACYP3A4NR3C1PGRLMNA
Fluorometholone SCHEMBL5187729 0.80 HIF1A (1.00) HIF1ACYP3A4NR3C1PGRLMNA
Fluorometholone SCHEMBL13026152 0.80 HIF1A (1.00) HIF1ACYP3A4NR3C1PGRLMNA
Fluorometholone SCHEMBL13069734 0.80 HIF1A (1.00) HIF1ACYP3A4NR3C1PGRLMNA

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