SCHEMBL10381829

SCHEMBL10381829

CN1CCN(Cc2cccc(C(=O)OCC(=O)[C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@@]43C)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.65
▸ PGR P06401 2/20 0.65
▸ SERPINA6 P08185 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ AR P10275 1/20 0.65
▸ CHRM1 P11229 1/20 0.65
▸ CYP3A4 P08684 2/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ NFKB1 P19838 2/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ MAPT P10636 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ NR3C1 P04150 8/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ NR3C2 P08235 2/20 0.58
▸ SHBG P04278 1/20 0.58
▸ KMT2A Q03164 1/20 0.58

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
Hydrochloric Acid SCHEMBL9836539 0.99 HIF1A (0.64) HIF1APGRSERPINA6LMNAAR
SCHEMBL9835911 0.88 HIF1A (0.71) HIF1APGRSERPINA6LMNAAR
SCHEMBL9838110 0.87 HIF1A (0.65) HIF1APGRSERPINA6LMNAAR
SCHEMBL9836440 0.87 HIF1A (0.49) HIF1APGRSERPINA6LMNAAR
SCHEMBL18278997 0.85 HIF1A (0.80) HIF1APGRSERPINA6LMNAAR
SCHEMBL29546250 0.85 HIF1A (0.65) HIF1APGRSERPINA6LMNAAR
SCHEMBL12397331 0.82 HIF1A (0.74) HIF1APGRSERPINA6LMNAAR
SCHEMBL13692155 0.81 HIF1A (0.79) HIF1APGRSERPINA6LMNAAR
SCHEMBL8722422 0.81 HIF1A (0.73) HIF1APGRSERPINA6LMNAAR
SCHEMBL8722429 0.81 HIF1A (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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