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Sugi Predict / Compounds / SCHEMBL7766720

SCHEMBL7766720

SCHEMBL7766720

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC([C@]56[C@@H](O)C[C@@]7(C)[C@@H](CC[C@]7(O)C(=O)CO)[C@@H]5CCC5=CC(=O)CC[C@@]56C)[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 7/20 0.55
▸ SMN1; SMN2 Q16637 6/20 0.55
▸ HSD17B10 Q99714 6/20 0.55
▸ SERPINA6 P08185 5/20 0.55
▸ NR3C2 P08235 5/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ SHBG P04278 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ NFKB1 P19838 2/20 0.55
▸ BLM P54132 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ SLC22A2 O15244 1/20 0.55
▸ SLC22A1 O15245 1/20 0.55
▸ SLC22A3 O75751 1/20 0.55
▸ THPO P40225 1/20 0.55
▸ MTOR P42345 1/20 0.55
▸ SIGMAR1 Q99720 1/20 0.55

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
SCHEMBL24461 0.92 SERPINA6 (0.57) HIF1ASMN1; SMN2HSD17B10SERPINA6NR3C2
SCHEMBL94105 0.91 HIF1A (0.63) HIF1ASMN1; SMN2HSD17B10SERPINA6NR3C2
SCHEMBL28318620 0.88 HIF1A (0.60) HIF1ASMN1; SMN2HSD17B10SERPINA6NR3C2
SCHEMBL8061818 0.88 HIF1A (0.59) HIF1ASMN1; SMN2HSD17B10SERPINA6NR3C2
SCHEMBL6370137 0.88 HIF1A (0.59) HIF1ASMN1; SMN2HSD17B10SERPINA6NR3C2
Butyric Acid SCHEMBL28142317 0.86 HIF1A (0.57) HIF1ASMN1; SMN2HSD17B10SERPINA6NR3C2
SCHEMBL8907648 0.86 NR3C1 (0.56) HIF1ASMN1; SMN2HSD17B10SERPINA6NR3C2
SCHEMBL2330386 0.85 NR3C1 (0.59) HIF1ASMN1; SMN2HSD17B10SERPINA6NR3C2
SCHEMBL7973569 0.82 NR3C2 (0.63) HIF1ASMN1; SMN2HSD17B10SERPINA6NR3C2
SCHEMBL2981243 0.81 HSD17B10 (0.60) HIF1ASMN1; SMN2HSD17B10SERPINA6NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2101731-B1 ENDOXIFEN FOR USE IN THE TREATMENT OF CANCER JINA PHARMACEUTICALS INC (US) 2018-01-31 — — EP claimed
CN-105919939-A Production of encapsulated nanoparticles at commercial scale 伊休蒂卡有限公司 2016-09-07 — — CN disclosed
WO-2000065070-A9 CELL CULTURE PROCESS FOR GLYCOPROTEINS GENENTECH INC (US) 2001-08-02 — — WO disclosed
US-4305721-A Agglutination assay BECTON DICKINSON & COMPANY (US) 1981-12-15 — — US disclosed