SCHEMBL5396842

SCHEMBL5396842

CCC[C@@H]1O[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)COC(=O)CC)O1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 10/20 0.81
▸ PGR P06401 7/20 0.81
▸ CYP3A4 P08684 4/20 0.81
▸ HIF1A Q16665 4/20 0.81
▸ LMNA P02545 3/20 0.81
▸ CYP2C9 P11712 2/20 0.81
▸ ABCC3 O15438 1/20 0.81
▸ ABCC4 O15439 1/20 0.81
▸ ABCB11 O95342 1/20 0.81
▸ IL5 P05113 1/20 0.81
▸ NR3C2 P08235 1/20 0.81
▸ AR P10275 1/20 0.81
▸ CHRM1 P11229 1/20 0.81
▸ MMP9 P14780 1/20 0.81
▸ NFKB1 P19838 1/20 0.81
▸ THPO P40225 1/20 0.81
▸ SMN1; SMN2 Q16637 1/20 0.81
▸ HSD17B10 Q99714 1/20 0.81
▸ BLM P54132 1/20 0.81
▸ PMP22 Q01453 1/20 0.81

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
SCHEMBL21569983 0.94 NR3C1 (0.79) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL27072506 0.94 NR3C1 (0.79) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL7735898 0.93 ALDH1A1 (0.84) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL17151413 0.93 ALDH1A1 (0.84) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL7751385 0.93 ALDH1A1 (0.84) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL4448853 0.93 NR3C1 (0.82) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL14965919 0.93 NR3C1 (0.77) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL21153755 0.93 NR3C1 (0.77) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL30987798 0.93 NR3C1 (0.77) NR3C1PGRCYP3A4HIF1ALMNA
SCHEMBL21152598 0.93 NR3C1 (0.77) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110650959-B Therapeutic compounds and compositions and methods of use thereof 豪夫迈·罗氏有限公司 2023-04-18 — — CN disclosed
CN-115667242-A Tetrahydroisoquinoline compounds as NRF2 activators 希四克斯探索有限公司 2023-01-31 — — CN disclosed
CN-115361989-A Inhalation device system 索芙特海尔公司 2022-11-18 — — CN disclosed
CN-111465700-A Water soluble cannabinoid compounds and material compositions in yeast and plant cell suspension cultures 特征生物科学公司 2020-07-28 — — CN disclosed
CN-110678467-A Therapeutic compounds and compositions and methods of use thereof 豪夫迈·罗氏有限公司 2020-01-10 — — CN disclosed
CN-110650959-A Therapeutic compounds and compositions and methods of use thereof 豪夫迈·罗氏有限公司 2020-01-03 — — CN disclosed
US-20070166364-A1 Transdermal Therapeutic System BEIER CORNELIA 2007-07-19 — — US disclosed
US-7220473-B2 Storage stability HEXAL AG (DE) 2007-05-22 — — US disclosed
US-20040047901-A1 Storage stability HEXAL AG (DE) 2004-03-11 — — US disclosed
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