SCHEMBL5459012

SCHEMBL5459012

C[C@]12C(O)=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 12/20 0.64
HIF1A Q16665 6/20 0.64
SERPINA6 P08185 6/20 0.64
CYP2C19 P33261 5/20 0.64
CYP3A4 P08684 4/20 0.64
LMNA P02545 4/20 0.64
SHBG P04278 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
PMP22 Q01453 2/20 0.64
TSHR P16473 2/20 0.64
BLM P54132 2/20 0.64
NR3C1 P04150 6/20 0.56
PGR P06401 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
SLC29A1 Q99808 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NR3C2 P08235 2/20 0.56
ABCB11 O95342 1/20 0.56

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
SCHEMBL3726244 1.00 HSD17B10 (0.64) HSD17B10HIF1ASERPINA6CYP2C19CYP3A4
SCHEMBL3768042 0.88 LMNA (0.62) HSD17B10HIF1ASERPINA6CYP2C19CYP3A4
SCHEMBL5697443 0.88 LMNA (0.51) HSD17B10HIF1ASERPINA6CYP2C19CYP3A4
SCHEMBL26133329 0.88 LMNA (0.51) HSD17B10HIF1ASERPINA6CYP2C19CYP3A4
SCHEMBL29018255 0.85 HSD17B10 (0.59) HSD17B10HIF1ASERPINA6CYP2C19CYP3A4
SCHEMBL3410685 0.85 HIF1A (0.72) HSD17B10HIF1ASERPINA6CYP2C19CYP3A4
SCHEMBL1182565 0.85 HIF1A (0.72) HSD17B10HIF1ASERPINA6CYP2C19CYP3A4
SCHEMBL4557526 0.84 SERPINA6 (0.52) HSD17B10HIF1ASERPINA6CYP2C19CYP3A4
SCHEMBL5982782 0.84 HSD17B10 (0.46) HSD17B10HIF1ASERPINA6CYP2C19CYP3A4
SCHEMBL3640143 0.84 NR3C1 (0.55) HSD17B10HIF1ASERPINA6CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350313-A1 DERIVATION OF LIVER ORGANOIDS FROM HUMAN PLURIPOTENT STEM CELLS Agency For Science, Technology And Research (A*star) (SG) 2018-07-25 EP claimed
WO-2017048193-A1 DERIVATION OF LIVER ORGANOIDS FROM HUMAN PLURIPOTENT STEM CELLS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2017-03-23 WO claimed
EP-1723174-A1 A NOVEL MODULATOR OF GLUCOCORTICOID RECEPTOR ACTIVITIES The Government of the U.S.A., as repr. by the Secretary, Dept. of Health & Human Services, the Nat. Inst. of Health (US) 2006-11-22 EP claimed
WO-2005082935-A1 STAMP MODULATION OF GLUCOCORTICOID-RESPONSIVE GENE EXPRESSION GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-09-09 WO claimed
EP-3350313-A1 DERIVATION OF LIVER ORGANOIDS FROM HUMAN PLURIPOTENT STEM CELLS Agency For Science, Technology And Research (A*star) (SG) 2018-07-25 EP disclosed
WO-2017218815-A1 MOTOR-ASSOCIATED NEURODEGENERATIVE DISEASE AND METHODS OF TREATMENT Verge Analytics, Inc. (US) 2017-12-21 WO disclosed
WO-2017048193-A1 DERIVATION OF LIVER ORGANOIDS FROM HUMAN PLURIPOTENT STEM CELLS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2017-03-23 WO disclosed
WO-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041463-A2 ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
EP-1448205-A4 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2007-01-03 EP disclosed
EP-1723174-A1 A NOVEL MODULATOR OF GLUCOCORTICOID RECEPTOR ACTIVITIES The Government of the U.S.A., as repr. by the Secretary, Dept. of Health & Human Services, the Nat. Inst. of Health (US) 2006-11-22 EP disclosed
WO-2005082935-A1 STAMP MODULATION OF GLUCOCORTICOID-RESPONSIVE GENE EXPRESSION GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-09-09 WO disclosed
EP-1448205-A2 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS Combinatorx, Incorporated (US) 2004-08-25 EP disclosed
WO-2003030823-A2 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2003-04-17 WO disclosed