SCHEMBL11124736

SCHEMBL11124736

CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 2/20 0.67
▸ PGR P06401 9/20 0.65
▸ NR3C1 P04150 7/20 0.65
▸ CYP3A4 P08684 6/20 0.65
▸ USP2 O75604 4/20 0.65
▸ HIF1A Q16665 4/20 0.65
▸ CNR1 P21554 2/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ AR P10275 6/20 0.62
▸ ADORA3 P0DMS8 5/20 0.56
▸ NR1I2 O75469 2/20 0.56
▸ DRD2 P14416 1/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ CHRM1 P11229 3/20 0.54
▸ ADRA1A P35348 3/20 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
SCHEMBL11127564 1.00 ABCB11 (0.67) ABCB11PGRNR3C1CYP3A4USP2
SCHEMBL10427816 0.92 PGR (0.67) ABCB11PGRNR3C1CYP3A4USP2
SCHEMBL10427815 0.92 PGR (0.67) ABCB11PGRNR3C1CYP3A4USP2
SCHEMBL11236322 0.92 PGR (0.72) ABCB11PGRNR3C1CYP3A4USP2
SCHEMBL11126579 0.92 PGR (0.72) ABCB11PGRNR3C1CYP3A4USP2
SCHEMBL11236326 0.92 PGR (0.72) ABCB11PGRNR3C1CYP3A4USP2
SCHEMBL11125406 0.91 PGR (0.65) ABCB11PGRNR3C1CYP3A4USP2
SCHEMBL11125425 0.91 PGR (0.65) ABCB11PGRNR3C1CYP3A4USP2
SCHEMBL11125393 0.91 PGR (0.65) ABCB11PGRNR3C1CYP3A4USP2
SCHEMBL11236533 0.90 PGR (0.64) ABCB11PGRNR3C1CYP3A4USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0029924-B1 6-ALPHA-FLUORO-16-METHYL-PREDNISOLONE-17,21 DIESTERS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM STEROSYNT Ltd. (GB) 1984-08-15 — — EP claimed
EP-0029924-B1 6-ALPHA-FLUORO-16-METHYL-PREDNISOLONE-17,21 DIESTERS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM STEROSYNT Ltd. (GB) 1984-08-15 — — EP disclosed
US-4358445-A ANTIINFLAMMATORY AGENT STEROSYNT LTD. (GB) 1982-11-09 — — US disclosed
EP-0029924-A1 6-Alpha-fluoro-16-methyl-prednisolone-17,21 diesters and pharmaceutical compositions containing them STEROSYNT Ltd. (GB) 1981-06-10 — — EP disclosed
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