SCHEMBL11040901

SCHEMBL11040901

CC(=O)OC[C@H]1OC(OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.55
HIF1A Q16665 3/20 0.55
PGR P06401 3/20 0.55
HRH1 P35367 1/20 0.55
SHBG P04278 1/20 0.51
FNTA P49354 4/20 0.45
FNTB P49356 4/20 0.45
CYP2C19 P33261 1/20 0.45
AR P10275 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
BLM P54132 1/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
SERPINA6 P08185 1/20 0.42
CHRM1 P11229 1/20 0.42
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL11039057 1.00 NR3C1 (0.55) NR3C1HIF1APGRHRH1SHBG
SCHEMBL4738 0.84 NR3C1 (0.76) NR3C1HIF1APGRHRH1SHBG
SCHEMBL11123749 0.82 SHBG (0.56) NR3C1HIF1APGRHRH1SHBG
SCHEMBL11039814 0.82 SHBG (0.56) NR3C1HIF1APGRHRH1SHBG
SCHEMBL11038397 0.80 HIF1A (0.71) NR3C1HIF1APGRSHBGFNTA
SCHEMBL11039918 0.80 HIF1A (0.71) NR3C1HIF1APGRSHBGFNTA
SCHEMBL4546 0.76 NR3C1 (0.74) NR3C1HIF1APGRHRH1SHBG
SCHEMBL143178 0.76 NR3C1 (0.74) NR3C1HIF1APGRHRH1SHBG
SCHEMBL722408 0.76 SHBG (0.64) NR3C1HIF1APGRHRH1SHBG
SCHEMBL11041672 0.73 PGR (0.71) NR3C1HIF1APGRCYP2C19AR

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-0123485-A1 Colon-specific prodrug, the preparation and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1984-10-31 EP disclosed
WO-1984004041-A1 COLON-SPECIFIC DRUG DELIVERY SYSTEM UNIV CALIFORNIA (US) 1984-10-25 WO disclosed