SCHEMBL22367969

SCHEMBL22367969

CC1CC(=O)[C@@]2(C)C[C@H](O)C3C(CCC4=CC(=O)CC[C@@]43C)C12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ NR3C2 P08235 5/20 0.56
▸ HSD11B1 P28845 2/20 0.56
▸ HSD11B2 P80365 2/20 0.56
▸ HIF1A Q16665 7/20 0.55
▸ LMNA P02545 6/20 0.55
▸ SERPINA6 P08185 6/20 0.53
▸ SHBG P04278 6/20 0.53
▸ HSD17B10 Q99714 5/20 0.53
▸ BLM P54132 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ NFKB1 P19838 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ SLC22A2 O15244 1/20 0.53
▸ SLC22A1 O15245 1/20 0.53
▸ SLC22A3 O75751 1/20 0.53
▸ THPO P40225 1/20 0.53

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
SCHEMBL29504095 0.92 SMN1; SMN2 (0.59) SMN1; SMN2NR3C2HSD11B1HSD11B2HIF1A
SCHEMBL20058429 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NR3C2HSD11B1HSD11B2HIF1A
SCHEMBL2508760 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NR3C2HSD11B1HSD11B2HIF1A
SCHEMBL13753020 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NR3C2HSD11B1HSD11B2HIF1A
SCHEMBL17906550 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NR3C2HSD11B1HSD11B2HIF1A
SCHEMBL23864218 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NR3C2HSD11B1HSD11B2HIF1A
SCHEMBL13176037 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NR3C2HSD11B1HSD11B2HIF1A
SCHEMBL17361261 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NR3C2HSD11B1HSD11B2HIF1A
SCHEMBL10301232 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NR3C2HSD11B1HSD11B2HIF1A
SCHEMBL14284911 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NR3C2HSD11B1HSD11B2HIF1A

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
EP-3171855-B1 11.BETA.-HYDROXYSTEROID-4-AZA-COMPOUNDS, COMPOSITIONS AND USES THEREOF SPHAERA PHARMA PRIVATE LTD (IN) 2020-08-26 — — EP disclosed
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