SCHEMBL11037287

SCHEMBL11037287

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)[CH]O)[C@@]3(C)CC(=O)[C@@]12F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 4/20 0.72
NR3C1 P04150 6/20 0.55
CYP2C19 P33261 2/20 0.55
HSD17B10 Q99714 5/20 0.54
AR P10275 2/20 0.54
PGR P06401 2/20 0.54
HIF1A Q16665 2/20 0.51
HRH1 P35367 1/20 0.51
LMNA P02545 5/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
SERPINA6 P08185 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
BLM P54132 2/20 0.41
MEN1 O00255 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPT P10636 1/20 0.41
MAPK3 P27361 1/20 0.41

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
SCHEMBL4546 0.86 NR3C1 (0.74) SHBGNR3C1CYP2C19HSD17B10AR
SCHEMBL143178 0.86 NR3C1 (0.74) SHBGNR3C1CYP2C19HSD17B10AR
SCHEMBL4738 0.82 NR3C1 (0.76) SHBGNR3C1CYP2C19HSD17B10AR
SCHEMBL722408 0.81 SHBG (0.64) SHBGNR3C1CYP2C19HSD17B10AR
SCHEMBL11040666 0.75 SHBG (0.56) SHBGNR3C1CYP2C19HSD17B10AR
SCHEMBL11123749 0.75 SHBG (0.56) SHBGNR3C1CYP2C19HSD17B10AR
SCHEMBL11039814 0.75 SHBG (0.56) SHBGNR3C1CYP2C19HSD17B10AR
SCHEMBL11042434 0.75 SHBG (0.56) SHBGNR3C1CYP2C19HSD17B10AR
SCHEMBL11814061 0.74 NR3C1 (0.77) SHBGNR3C1CYP2C19HSD17B10AR
SCHEMBL11814068 0.74 NR3C1 (0.77) SHBGNR3C1CYP2C19HSD17B10AR

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