SCHEMBL9487988

SCHEMBL9487988

COC(=O)C1OC2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 8/20 0.59
▸ NR3C2 P08235 7/20 0.59
▸ NR3C1 P04150 6/20 0.59
▸ CYP3A4 P08684 5/20 0.59
▸ PGR P06401 4/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ SHBG P04278 1/20 0.59
▸ SERPINA6 P08185 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ ABCB11 O95342 2/20 0.54
▸ AR P10275 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ ABCC3 O15438 1/20 0.54
▸ ABCC4 O15439 1/20 0.54
▸ IL5 P05113 1/20 0.54
▸ CHRM1 P11229 1/20 0.54

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
SCHEMBL13654495 0.89 HIF1A (0.63) HIF1ANR3C2NR3C1CYP3A4PGR
SCHEMBL2016044 0.86 NR3C1 (0.73) HIF1ANR3C2NR3C1CYP3A4PGR
SCHEMBL7735905 0.84 HIF1A (0.66) HIF1ANR3C2NR3C1CYP3A4PGR
SCHEMBL2020622 0.84 HIF1A (0.73) HIF1ANR3C2NR3C1CYP3A4PGR
SCHEMBL27780950 0.79 CYP17A1 (0.72) HIF1ANR3C2NR3C1CYP3A4PGR
SCHEMBL28106323 0.79 CYP17A1 (0.72) HIF1ANR3C2NR3C1CYP3A4PGR
SCHEMBL2020336 0.78 HIF1A (0.62) HIF1ANR3C2NR3C1CYP3A4PGR
SCHEMBL7735918 0.78 ALDH1A1 (0.64) HIF1ANR3C2NR3C1CYP3A4PGR
SCHEMBL2019946 0.78 HIF1A (0.61) HIF1ANR3C2NR3C1CYP3A4PGR
SCHEMBL13768969 0.78 HIF1A (0.64) HIF1ANR3C2NR3C1CYP3A4PGR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5200518-A Reduced side effcts KANGWEON NATIONAL UNIVERSITY (KR) 1993-04-06 — — US disclosed
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