SCHEMBL13069741

SCHEMBL13069741

CC(=O)[C@@]1(O)CCC2C3C[C@H](C)C4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.52
CYP3A4 P08684 6/20 0.52
NR3C1 P04150 4/20 0.52
PGR P06401 3/20 0.52
LMNA P02545 2/20 0.52
NR1I2 O75469 2/20 0.52
CYP2C9 P11712 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
KCNH2 Q12809 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
ALDH1A1 P00352 3/20 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
SCHEMBL3394762 1.00 HIF1A (0.52) HIF1ACYP3A4NR3C1PGRLMNA
SCHEMBL9073247 0.89 HIF1A (0.55) HIF1ACYP3A4NR3C1PGRLMNA
SCHEMBL8859711 0.89 HIF1A (0.55) HIF1ACYP3A4NR3C1PGRLMNA
SCHEMBL12266195 0.89 HIF1A (0.55) HIF1ACYP3A4NR3C1PGRLMNA
SCHEMBL15144388 0.89 NFKB1 (0.47) HIF1ACYP3A4NR3C1PGRLMNA
SCHEMBL10350563 0.89 CYP3A4 (0.47) HIF1ACYP3A4NR3C1PGRLMNA
SCHEMBL11702557 0.88 NFKB1 (0.47) HIF1ACYP3A4NR3C1PGRLMNA
SCHEMBL11702567 0.88 NFKB1 (0.47) HIF1ACYP3A4NR3C1PGRLMNA
SCHEMBL12265813 0.87 NFKB1 (0.46) HIF1ACYP3A4NR3C1PGRLMNA
SCHEMBL10394061 0.87 CYP3A4 (0.58) 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