SCHEMBL11040666

SCHEMBL11040666

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)COC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]3(C)CC(=O)[C@@]12F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.56
NR3C1 P04150 6/20 0.53
PGR P06401 2/20 0.53
HRH1 P35367 1/20 0.53
HIF1A Q16665 1/20 0.53
CYP2C19 P33261 1/20 0.51
FNTA P49354 4/20 0.47
FNTB P49356 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 4/20 0.43
AR P10275 3/20 0.43
SERPINA6 P08185 2/20 0.42
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BLM P54132 1/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL11039814 1.00 SHBG (0.56) SHBGNR3C1PGRHRH1HIF1A
SCHEMBL11042434 1.00 SHBG (0.56) SHBGNR3C1PGRHRH1HIF1A
SCHEMBL11123749 1.00 SHBG (0.56) SHBGNR3C1PGRHRH1HIF1A
SCHEMBL11039057 0.82 NR3C1 (0.55) SHBGNR3C1PGRHRH1HIF1A
SCHEMBL11040901 0.82 NR3C1 (0.55) SHBGNR3C1PGRHRH1HIF1A
SCHEMBL4546 0.82 NR3C1 (0.74) SHBGNR3C1PGRHRH1HIF1A
SCHEMBL143178 0.82 NR3C1 (0.74) SHBGNR3C1PGRHRH1HIF1A
SCHEMBL722408 0.80 SHBG (0.64) SHBGNR3C1PGRHRH1HIF1A
SCHEMBL11037834 0.77 HIF1A (0.68) SHBGNR3C1PGRHIF1ACYP2C19
SCHEMBL11040910 0.77 HIF1A (0.68) SHBGNR3C1PGRHIF1ACYP2C19

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