SCHEMBL11425419

SCHEMBL11425419

CCCOC(=O)O[C@]1(C(=O)COC(=O)OC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.71
▸ AR P10275 2/20 0.71
▸ CHRM1 P11229 2/20 0.71
▸ NR3C2 P08235 7/20 0.67
▸ NR3C1 P04150 3/20 0.66
▸ HIF1A Q16665 8/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ LMNA P02545 2/20 0.61
▸ SERPINA6 P08185 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ CYP3A4 P08684 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 2/20 0.56
▸ HSD17B10 Q99714 1/20 0.56

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
SCHEMBL11422308 0.97 PGR (0.71) PGRARCHRM1NR3C2NR3C1
SCHEMBL11442151 0.97 PGR (0.73) PGRARCHRM1NR3C2NR3C1
SCHEMBL11293588 0.96 PGR (0.70) PGRARCHRM1NR3C2NR3C1
SCHEMBL11436826 0.95 PGR (0.71) PGRARCHRM1NR3C2NR3C1
SCHEMBL11421124 0.95 PGR (0.71) PGRARCHRM1NR3C2NR3C1
SCHEMBL11433137 0.95 PGR (0.68) PGRARCHRM1NR3C2NR3C1
SCHEMBL11423697 0.95 PGR (0.70) PGRARCHRM1NR3C2NR3C1
SCHEMBL11431092 0.94 PGR (0.74) PGRARCHRM1NR3C2NR3C1
SCHEMBL11428424 0.94 PGR (0.68) PGRARCHRM1NR3C2NR3C1
SCHEMBL11424211 0.94 PGR (0.81) PGRARCHRM1NR3C2NR3C1

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-4242334-A ANTIINFLAMMATORY AGENTS; SKIN DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-30 — — US disclosed
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