SCHEMBL11037280

SCHEMBL11037280

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.69
HIF1A Q16665 5/20 0.69
PGR P06401 5/20 0.69
CYP3A4 P08684 4/20 0.69
HSD17B10 Q99714 3/20 0.69
AR P10275 2/20 0.69
ABCB11 O95342 2/20 0.69
TNF P01375 1/20 0.69
IL6 P05231 1/20 0.69
SERPINA6 P08185 1/20 0.69
NR3C2 P08235 1/20 0.69
GLUL P15104 1/20 0.69
ADAM17 P78536 1/20 0.69
GPBAR1 Q8TDU6 1/20 0.69
CYP2C19 P33261 1/20 0.69
LMNA P02545 1/20 0.62
KMT2A Q03164 1/20 0.55
F2 P00734 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ABCC4 O15439 1/20 0.52

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
SCHEMBL7753162 1.00 NR3C1 (0.69) NR3C1HIF1APGRCYP3A4HSD17B10
SCHEMBL26139858 1.00 NR3C1 (0.69) NR3C1HIF1APGRCYP3A4HSD17B10
SCHEMBL7871111 1.00 NR3C1 (0.69) NR3C1HIF1APGRCYP3A4HSD17B10
SCHEMBL11040065 1.00 NR3C1 (0.69) NR3C1HIF1APGRCYP3A4HSD17B10
SCHEMBL26139850 0.97 NR3C1 (0.65) NR3C1HIF1APGRCYP3A4HSD17B10
SCHEMBL26139861 0.97 NR3C1 (0.65) NR3C1HIF1APGRCYP3A4HSD17B10
SCHEMBL1513745 0.91 HIF1A (0.70) NR3C1HIF1APGRCYP3A4HSD17B10
SCHEMBL147512 0.90 PGR (0.69) NR3C1HIF1APGRCYP3A4HSD17B10
SCHEMBL21641269 0.87 HIF1A (0.59) NR3C1HIF1APGRCYP3A4HSD17B10
SCHEMBL21641270 0.87 HIF1A (0.59) NR3C1HIF1APGRCYP3A4HSD17B10

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