SCHEMBL7973569

SCHEMBL7973569

CCCC(=O)O[C@@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(C3CC(=O)C=C4CC[C@@H]5[C@H]([C@@H](O)C[C@@]6(C)[C@H]5CC[C@]6(O)C(=O)CO)[C@]43C)[C@@H](O)C[C@@]21C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 9/20 0.63
NR3C1 P04150 5/20 0.63
PGR P06401 4/20 0.63
HIF1A Q16665 6/20 0.58
KMT2A Q03164 2/20 0.58
HSD17B10 Q99714 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP2C19 P33261 2/20 0.52
MAPT P10636 2/20 0.52
SERPINA6 P08185 2/20 0.52
CYP3A4 P08684 2/20 0.52
SHBG P04278 1/20 0.52
NFKB1 P19838 1/20 0.52
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
AR P10275 2/20 0.46
CHRM1 P11229 1/20 0.46
ABCB11 O95342 1/20 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
Butyric Acid SCHEMBL28142317 0.90 HIF1A (0.57) NR3C2NR3C1PGRHIF1AKMT2A
SCHEMBL94105 0.90 HIF1A (0.63) NR3C2NR3C1PGRHIF1AKMT2A
SCHEMBL28318620 0.88 HIF1A (0.60) NR3C2NR3C1PGRHIF1AKMT2A
SCHEMBL8061818 0.87 HIF1A (0.59) NR3C2NR3C1PGRHIF1AKMT2A
SCHEMBL6370137 0.87 HIF1A (0.59) NR3C2NR3C1PGRHIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL6835762 0.83 NR3C2 (0.91) NR3C2NR3C1PGRHIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL9838663 0.83 NR3C2 (0.91) NR3C2NR3C1PGRHIF1AKMT2A
SCHEMBL7766720 0.82 HIF1A (0.55) NR3C2NR3C1PGRHIF1AKMT2A
SCHEMBL24461 0.81 SERPINA6 (0.57) NR3C2NR3C1PGRHIF1AKMT2A
SCHEMBL2981243 0.80 HSD17B10 (0.60) NR3C2NR3C1PGRHIF1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281376-B1 COMPLEX CONTAINING CHLORAMBUCIL COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-28 US disclosed
EP-0804459-A4 THERAPEUTIC COMPOUND - FATTY ACID CONJUGATES COMMW SCIENT IND RES ORG (AU) 1999-05-26 EP disclosed
CN-1178535-A Therapeutic compound-fatty acid conjugates COMMW SCIENT IND RES ORG (AU) 1998-04-08 CN disclosed
EP-0804459-A1 THERAPEUTIC COMPOUND - FATTY ACID CONJUGATES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1997-11-05 EP disclosed
WO-1996022303-A1 THERAPEUTIC COMPOUND - FATTY ACID CONJUGATES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1996-07-25 WO disclosed