SCHEMBL8204633

SCHEMBL8204633

CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CS[C@H]2CCOC2=O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 11/20 1.00
▸ LMNA P02545 5/20 0.73
▸ PGR P06401 5/20 0.73
▸ HIF1A Q16665 4/20 0.73
▸ AR P10275 2/20 0.73
▸ CYP3A4 P08684 2/20 0.73
▸ MAPT P10636 1/20 0.73
▸ HSD17B10 Q99714 1/20 0.73
▸ TDP1 Q9NUW8 1/20 0.73
▸ KDM4E B2RXH2 1/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ ALDH1A1 P00352 1/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ NR1I2 O75469 1/20 0.57
▸ ESR1 P03372 1/20 0.56

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
SCHEMBL8204631 1.00 NR3C1 (1.00) NR3C1LMNAPGRHIF1AAR
SCHEMBL8204816 1.00 NR3C1 (1.00) NR3C1LMNAPGRHIF1AAR
SCHEMBL7899997 0.89 NR3C1 (0.81) NR3C1LMNAPGRHIF1AAR
SCHEMBL7899987 0.89 NR3C1 (0.81) NR3C1LMNAPGRHIF1AAR
SCHEMBL3989866 0.89 NR3C1 (0.81) NR3C1LMNAPGRHIF1AAR
SCHEMBL8206014 0.88 NR3C1 (0.79) NR3C1LMNAPGRHIF1AAR
SCHEMBL8197395 0.87 NR3C1 (0.77) NR3C1LMNAPGRHIF1AAR
SCHEMBL8697986 0.86 NR3C1 (0.75) NR3C1LMNAPGRHIF1AAR
SCHEMBL8204347 0.86 NR3C1 (0.75) NR3C1LMNAPGRHIF1AAR
SCHEMBL8206340 0.86 NR3C1 (0.75) NR3C1LMNAPGRHIF1AAR

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-0876393-B1 21-(2-OXO-TETRAHYDROFURAN)-THIO PREGNANE DERIVATIVES, A PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LTD (GB) 2000-07-05 — — EP disclosed
US-6013244-A AS ANTI-INFLAMMATORY OR ANTI-ALLERGIC AGENTS GLAXO WELLCOME INC. (US) 2000-01-11 — — US disclosed
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