SCHEMBL29504095

SCHEMBL29504095

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)C(=O)C[C@H](O)[C@@H]12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.59
▸ NR3C2 P08235 5/20 0.59
▸ HSD11B1 P28845 2/20 0.59
▸ HSD11B2 P80365 2/20 0.59
▸ HIF1A Q16665 7/20 0.58
▸ LMNA P02545 6/20 0.58
▸ SHBG P04278 6/20 0.56
▸ SERPINA6 P08185 6/20 0.56
▸ HSD17B10 Q99714 5/20 0.56
▸ BLM P54132 3/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ NFKB1 P19838 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ SLC22A2 O15244 1/20 0.56
▸ SLC22A1 O15245 1/20 0.56
▸ SLC22A3 O75751 1/20 0.56
▸ THPO P40225 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
SCHEMBL22367969 0.92 SMN1; SMN2 (0.56) SMN1; SMN2NR3C2HSD11B1HSD11B2HIF1A
SCHEMBL1043530 0.85 SHBG (0.64) SMN1; SMN2NR3C2HIF1ALMNASHBG
SCHEMBL1421984 0.85 SHBG (0.64) SMN1; SMN2NR3C2HIF1ALMNASHBG
SCHEMBL1043531 0.85 SHBG (0.64) SMN1; SMN2NR3C2HIF1ALMNASHBG
SCHEMBL13356032 0.85 SHBG (0.64) SMN1; SMN2NR3C2HIF1ALMNASHBG
SCHEMBL12957827 0.85 SHBG (0.64) SMN1; SMN2NR3C2HIF1ALMNASHBG
SCHEMBL23864218 0.84 SMN1; SMN2 (0.67) SMN1; SMN2NR3C2HSD11B1HSD11B2HIF1A
SCHEMBL13176037 0.84 SMN1; SMN2 (0.67) SMN1; SMN2NR3C2HSD11B1HSD11B2HIF1A
SCHEMBL2508760 0.84 SMN1; SMN2 (0.67) SMN1; SMN2NR3C2HSD11B1HSD11B2HIF1A
SCHEMBL10301232 0.84 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114317664-A Method for preparing 11a,15 a-dihydroxy androstenedione 浙江仙琚制药股份有限公司 2022-04-12 — — CN claimed
CN-114317664-A Method for preparing 11a,15 a-dihydroxy androstenedione 浙江仙琚制药股份有限公司 2022-04-12 — — CN disclosed
CN-114317664-A Method for preparing 11a,15 a-dihydroxy androstenedione 浙江仙琚制药股份有限公司 2022-04-12 — — CN disclosed
CN-114317664-A Method for preparing 11a,15 a-dihydroxy androstenedione 浙江仙琚制药股份有限公司 2022-04-12 — — CN disclosed
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