SCHEMBL3777671

SCHEMBL3777671

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC(O)[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.67
SHBG P04278 5/20 0.67
NR3C1 P04150 5/20 0.67
SERPINA6 P08185 4/20 0.67
CYP2C19 P33261 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPT P10636 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
BLM P54132 2/20 0.67
ADORA3 P0DMS8 1/20 0.67
MAPK3 P27361 1/20 0.67
SLC6A3 Q01959 1/20 0.67
HIF1A Q16665 5/20 0.56
HSD17B10 Q99714 3/20 0.53
TSHR P16473 3/20 0.53
CYP3A4 P08684 2/20 0.53
PMP22 Q01453 1/20 0.53
PGR P06401 3/20 0.51
ALDH1A1 P00352 2/20 0.51

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
SCHEMBL3777666 1.00 LMNA (0.67) LMNASHBGNR3C1SERPINA6CYP2C19
SCHEMBL4622887 0.91 SHBG (0.55) LMNASHBGNR3C1SERPINA6CYP2C19
SCHEMBL4622891 0.91 SHBG (0.55) LMNASHBGNR3C1SERPINA6CYP2C19
SCHEMBL26133325 0.91 SHBG (0.55) LMNASHBGNR3C1SERPINA6CYP2C19
SCHEMBL3029696 0.89 LMNA (0.67) LMNASHBGNR3C1SERPINA6CYP2C19
SCHEMBL23645479 0.88 HSD17B10 (0.69) LMNASHBGNR3C1SERPINA6CYP2C19
SCHEMBL792845 0.88 HSD17B10 (0.69) LMNASHBGNR3C1SERPINA6CYP2C19
SCHEMBL3464883 0.88 HSD17B10 (0.69) LMNASHBGNR3C1SERPINA6CYP2C19
SCHEMBL2596391 0.88 HSD17B10 (0.69) LMNASHBGNR3C1SERPINA6CYP2C19
SCHEMBL28750427 0.88 LMNA (0.66) LMNASHBGNR3C1SERPINA6CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010122096-A1 PROCESS FOR OBTAINING FLUOROMETHOLONE AND INTERMEDIATES THEREFOR CRYSTAL PHARMA, S.L.U. (ES) 2010-10-28 WO disclosed
EP-1814540-A2 COMPOSITIONS USEFUL TO TREAT OCULAR NEOVASCULAR DISEASES AND MACULAR DEGENERATION Nu-Tein Co., Inc. (US) 2007-08-08 EP disclosed
WO-2006055526-A2 COMPOSITIONS USEFUL TO TREAT OCULAR NEOVASCULAR DISEASES AND MACULAR DEGENERATION NU-TEIN CO., INC. (US) 2006-05-26 WO disclosed
WO-2004039328-A2 FLUDROCORTISONE TREATMENT FOR HEARING LOSS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2004-05-13 WO disclosed