SCHEMBL9836440

SCHEMBL9836440

CC1=CC(=O)C=C2CC[C@@H]3[C@H](C(O)C[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)COC(=O)c3cccc(CN4CCN(C)CC4)c3)[C@@]12C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 12/20 0.49
▸ PGR P06401 5/20 0.49
▸ SERPINA6 P08185 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ AR P10275 2/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CYP3A4 P08684 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NR3C1 P04150 6/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ NR3C2 P08235 2/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ TNF P01375 1/20 0.44
▸ IL6 P05231 1/20 0.44
▸ GLUL P15104 1/20 0.44
▸ ADAM17 P78536 1/20 0.44
▸ GPBAR1 Q8TDU6 1/20 0.44
▸ NFKB1 P19838 2/20 0.43
▸ PMP22 Q01453 1/20 0.43

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
SCHEMBL9838110 0.89 HIF1A (0.65) HIF1APGRSERPINA6LMNAAR
SCHEMBL9836144 0.89 HIF1A (0.54) HIF1APGRSERPINA6LMNAAR
SCHEMBL10381829 0.87 HIF1A (0.65) HIF1APGRSERPINA6LMNAAR
Hydrochloric Acid SCHEMBL9836539 0.86 HIF1A (0.64) HIF1APGRSERPINA6LMNAAR
SCHEMBL10700873 0.80 HIF1A (0.64) HIF1APGRSERPINA6LMNAAR
SCHEMBL13232 0.80 HIF1A (0.74) HIF1APGRSERPINA6LMNAAR
SCHEMBL10883182 0.79 HIF1A (0.59) HIF1APGRSERPINA6LMNAAR
SCHEMBL10527431 0.79 HIF1A (0.62) HIF1APGRSERPINA6LMNAAR
SCHEMBL1513910 0.78 HIF1A (0.61) HIF1APGRSERPINA6LMNAAR
SCHEMBL5087747 0.77 HIF1A (0.70) HIF1APGRSERPINA6LMNAAR

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-0454773-A1 NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS Bundgaard, Hans (DK) 1991-11-06 — — EP disclosed
WO-1990008128-A1 NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS BUNDGAARD HANS (DK) 1990-07-26 — — WO disclosed
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