SCHEMBL11037834

SCHEMBL11037834

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](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 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.68
NR3C1 P04150 8/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
CYP2C19 P33261 2/20 0.68
HSD17B10 Q99714 2/20 0.68
PGR P06401 2/20 0.68
SERPINA6 P08185 2/20 0.68
CYP3A4 P08684 2/20 0.68
NFKB1 P19838 2/20 0.68
LMNA P02545 2/20 0.68
MAPT P10636 2/20 0.68
NR3C2 P08235 2/20 0.68
SHBG P04278 1/20 0.68
KMT2A Q03164 1/20 0.68
AR P10275 1/20 0.68
CHRM1 P11229 1/20 0.68
PMP22 Q01453 1/20 0.62
TSHR P16473 1/20 0.62
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61

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
SCHEMBL11040910 1.00 HIF1A (0.68) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL11040396 1.00 HIF1A (0.68) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL11040189 1.00 HIF1A (0.68) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL7989775 0.89 HIF1A (0.68) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL21641462 0.86 HIF1A (0.58) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL21641461 0.86 HIF1A (0.58) HIF1ANR3C1SMN1; SMN2CYP2C19HSD17B10
SCHEMBL7871111 0.86 NR3C1 (0.69) HIF1ANR3C1CYP2C19HSD17B10PGR
SCHEMBL7753162 0.86 NR3C1 (0.69) HIF1ANR3C1CYP2C19HSD17B10PGR
SCHEMBL11040065 0.86 NR3C1 (0.69) HIF1ANR3C1CYP2C19HSD17B10PGR
SCHEMBL11037280 0.86 NR3C1 (0.69) HIF1ANR3C1CYP2C19HSD17B10PGR

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