SCHEMBL9764379

SCHEMBL9764379

COC(=O)OC1(C(=O)OCCl)C(C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)C(O)C[C@@]21C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 11/20 0.68
▸ CYP3A4 P08684 4/20 0.68
▸ PGR P06401 4/20 0.68
▸ USP2 O75604 3/20 0.68
▸ LMNA P02545 2/20 0.68
▸ NR1I2 O75469 2/20 0.68
▸ MAPT P10636 2/20 0.68
▸ MLNR O43193 1/20 0.68
▸ ABCB11 O95342 1/20 0.68
▸ CYP3A5 P20815 1/20 0.68
▸ PPARG P37231 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ MMP1 P03956 8/20 0.66
▸ ADORA3 P0DMS8 1/20 0.65
▸ DRD2 P14416 1/20 0.65
▸ OPRD1 P41143 1/20 0.65
▸ MEN1 O00255 1/20 0.62

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
SCHEMBL7210347 1.00 NR3C1 (0.68) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL7209343 1.00 NR3C1 (0.68) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL7207541 0.93 NR3C1 (0.65) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL7209883 0.93 NR3C1 (0.65) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL7202979 0.93 NR3C1 (0.69) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL7204769 0.93 NR3C1 (0.69) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL7616620 0.93 NR3C1 (0.69) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL8506353 0.93 NR3C1 (0.69) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL11143360 0.93 NR3C1 (0.71) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL9456177 0.92 NR3C1 (0.69) NR3C1CYP3A4PGRUSP2LMNA

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-4996335-A Soft steroids having anti-inflammatory activity Bodor, Nicholas S. (US) 1991-02-26 — — US disclosed
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