SCHEMBL11379554

SCHEMBL11379554

CCCCC(=O)O[C@@]1(C(=O)CO)CC[C@H]2[C@@H]3CC(F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@@]21C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 5/20 0.63
▸ LMNA P02545 3/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ NR3C1 P04150 8/20 0.48
▸ PGR P06401 6/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ AR P10275 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NR3C2 P08235 4/20 0.46
▸ ADORA3 P0DMS8 2/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL11379548 1.00 HIF1A (0.63) HIF1ALMNANPSR1NR3C1PGR
SCHEMBL11360871 0.89 HIF1A (0.65) HIF1ALMNANPSR1NR3C1PGR
SCHEMBL10939922 0.89 HIF1A (0.65) HIF1ALMNANPSR1NR3C1PGR
SCHEMBL10783618 0.88 HIF1A (0.57) HIF1ALMNANPSR1NR3C1PGR
SCHEMBL11128542 0.86 HIF1A (0.51) HIF1ALMNANPSR1NR3C1PGR
(6.Alpha.,11.Beta.)-6,9-Difluoro-11,21-Dihydroxy-17-(1-Oxobutoxy)Pregna-1,4-Diene-3,20-Dione SCHEMBL3089453 0.86 HIF1A (0.83) HIF1ALMNANPSR1NR3C1PGR
(6.Alpha.,11.Beta.)-6,9-Difluoro-11,21-Dihydroxy-17-(1-Oxobutoxy)Pregna-1,4-Diene-3,20-Dione SCHEMBL3089455 0.86 HIF1A (0.83) HIF1ALMNANPSR1NR3C1PGR
SCHEMBL11370156 0.86 HIF1A (0.69) HIF1ALMNANPSR1NR3C1PGR
(6.Alpha.,11.Beta.)-6,9-Difluoro-11,21-Dihydroxy-17-(1-Oxobutoxy)Pregna-1,4-Diene-3,20-Dione SCHEMBL3089451 0.86 HIF1A (0.83) HIF1ALMNANPSR1NR3C1PGR
(6.Alpha.,11.Beta.)-6,9-Difluoro-11,21-Dihydroxy-17-(1-Oxobutoxy)Pregna-1,4-Diene-3,20-Dione SCHEMBL18286134 0.86 HIF1A (0.83) HIF1ALMNANPSR1NR3C1PGR

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
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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