SCHEMBL10427784

SCHEMBL10427784

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 5/20 0.55
▸ NR3C1 P04150 5/20 0.55
▸ PGR P06401 4/20 0.55
▸ HIF1A Q16665 6/20 0.53
▸ CYP3A4 P08684 5/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ ABCB11 O95342 1/20 0.49
▸ AR P10275 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MEN1 O00255 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP2C19 P33261 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
SCHEMBL10427783 1.00 NR3C2 (0.55) NR3C2NR3C1PGRHIF1ACYP3A4
SCHEMBL10892119 0.94 HIF1A (0.55) NR3C2NR3C1PGRHIF1ACYP3A4
SCHEMBL10892103 0.94 HIF1A (0.55) NR3C2NR3C1PGRHIF1ACYP3A4
SCHEMBL10627743 0.92 CYP3A4 (0.59) NR3C2NR3C1PGRHIF1ACYP3A4
SCHEMBL10627735 0.92 CYP3A4 (0.59) NR3C2NR3C1PGRHIF1ACYP3A4
SCHEMBL10427796 0.90 HIF1A (0.59) NR3C2NR3C1PGRHIF1ACYP3A4
SCHEMBL10427881 0.90 HIF1A (0.59) NR3C2NR3C1PGRHIF1ACYP3A4
SCHEMBL10355892 0.89 HIF1A (0.56) NR3C2NR3C1PGRHIF1ACYP3A4
SCHEMBL10355891 0.89 HIF1A (0.56) NR3C2NR3C1PGRHIF1ACYP3A4
SCHEMBL10427781 0.86 CYP3A4 (0.54) NR3C2NR3C1PGRHIF1ACYP3A4

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
EP-0100874-B1 6,16-DIMETHYL CORTICOIDS, THEIR PREPARATION AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-07 — — EP claimed
US-4555507-A Novel 6, 16-dimethylcorticoids, their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1985-11-26 — — US disclosed
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