SCHEMBL11638969

SCHEMBL11638969

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(O)(O)C12F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 6/20 0.68
▸ ALDH1A1 P00352 2/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ CYP2C19 P33261 4/20 0.62
▸ HSD17B10 Q99714 8/20 0.56
▸ HIF1A Q16665 5/20 0.56
▸ SERPINA6 P08185 4/20 0.56
▸ SHBG P04278 4/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ PMP22 Q01453 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ BLM P54132 1/20 0.56
▸ PGR P06401 3/20 0.54
▸ HRH1 P35367 1/20 0.54
▸ CYP2D6 P10635 1/20 0.52
▸ KCNA1 Q09470 1/20 0.52
▸ SLC47A1 Q96FL8 1/20 0.52
▸ NR3C2 P08235 1/20 0.52

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
SCHEMBL11638959 1.00 NR3C1 (0.68) NR3C1ALDH1A1MAPK1CYP2C19HSD17B10
SCHEMBL4546 0.82 NR3C1 (0.74) NR3C1ALDH1A1MAPK1CYP2C19HSD17B10
SCHEMBL143178 0.82 NR3C1 (0.74) NR3C1ALDH1A1MAPK1CYP2C19HSD17B10
SCHEMBL11156788 0.81 ALDH1A1 (0.71) NR3C1ALDH1A1MAPK1CYP2C19HSD17B10
SCHEMBL11156797 0.81 ALDH1A1 (0.71) NR3C1ALDH1A1MAPK1CYP2C19HSD17B10
Fludrocortisone SCHEMBL23975175 0.81 NR3C1 (1.00) NR3C1ALDH1A1MAPK1CYP2C19HSD17B10
Fludrocortisone SCHEMBL14373312 0.81 NR3C1 (1.00) NR3C1ALDH1A1MAPK1CYP2C19HSD17B10
Fludrocortisone SCHEMBL4545 0.81 NR3C1 (1.00) NR3C1ALDH1A1MAPK1CYP2C19HSD17B10
Fludrocortisone SCHEMBL10598529 0.81 NR3C1 (1.00) NR3C1ALDH1A1MAPK1CYP2C19HSD17B10
Fludrocortisone SCHEMBL13026141 0.81 NR3C1 (1.00) NR3C1ALDH1A1MAPK1CYP2C19HSD17B10

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-4127589-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1978-11-28 — — US disclosed
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