SCHEMBL11687984

SCHEMBL11687984

CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C(=O)O)O1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 10/20 0.80
▸ PGR P06401 7/20 0.80
▸ CYP3A4 P08684 5/20 0.60
▸ HIF1A Q16665 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ ABCB11 O95342 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ ABCC3 O15438 1/20 0.60
▸ ABCC4 O15439 1/20 0.60
▸ IL5 P05113 1/20 0.60
▸ NR3C2 P08235 1/20 0.60
▸ AR P10275 1/20 0.60
▸ CHRM1 P11229 1/20 0.60
▸ MMP9 P14780 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ THPO P40225 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ PMP22 Q01453 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL18600487 0.95 NR3C1 (0.85) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL12396790 0.95 NR3C1 (0.85) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL13177824 0.95 NR3C1 (0.85) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL18600314 0.93 NR3C1 (0.80) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL13177840 0.90 NR3C1 (0.81) NR3C1PGRCYP3A4HIF1ALMNA
Desonide SCHEMBL1649865 0.89 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1ALMNA
Desonide SCHEMBL1650014 0.89 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1ALMNA
Desonide SCHEMBL21570018 0.89 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1ALMNA
Desonide SCHEMBL12235707 0.89 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1ALMNA
Desonide SCHEMBL5481974 0.89 NR3C1 (1.00) NR3C1PGRCYP3A4HIF1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4049804-A Novel pregnanoic acid derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1977-09-20 — — US claimed
US-4049804-A Novel pregnanoic acid derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1977-09-20 — — US disclosed
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