SCHEMBL24461

SCHEMBL24461

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12C1CC(=O)C=C2CC[C@@H]3[C@H]([C@@H](O)C[C@]4(C=O)[C@@H](C(=O)CO)CC[C@@H]34)[C@]21C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINA6 P08185 7/20 0.57
NR3C2 P08235 4/20 0.57
SHBG P04278 4/20 0.57
PRKAA2 P54646 1/20 0.57
NR3C1 P04150 5/20 0.52
HIF1A Q16665 9/20 0.51
HSD17B10 Q99714 7/20 0.51
CYP2C19 P33261 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
CYP3A4 P08684 4/20 0.51
PGR P06401 4/20 0.51
MAPT P10636 2/20 0.51
NFKB1 P19838 2/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 4/20 0.44
BLM P54132 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL7766720 0.92 HIF1A (0.55) SERPINA6NR3C2SHBGPRKAA2NR3C1
SCHEMBL94105 0.89 HIF1A (0.63) SERPINA6NR3C2SHBGNR3C1HIF1A
SCHEMBL28318620 0.87 HIF1A (0.60) SERPINA6NR3C2SHBGNR3C1HIF1A
SCHEMBL8061818 0.86 HIF1A (0.59) SERPINA6NR3C2SHBGNR3C1HIF1A
SCHEMBL6370137 0.86 HIF1A (0.59) SERPINA6NR3C2SHBGNR3C1HIF1A
Butyric Acid SCHEMBL28142317 0.84 HIF1A (0.57) SERPINA6NR3C2SHBGNR3C1HIF1A
SCHEMBL8907648 0.81 NR3C1 (0.56) SERPINA6NR3C2SHBGNR3C1HIF1A
SCHEMBL2330386 0.81 NR3C1 (0.59) SERPINA6NR3C2SHBGNR3C1HIF1A
Hydrocortisone SCHEMBL24460 0.81 SERPINA6 (0.81) SERPINA6NR3C2SHBGPRKAA2NR3C1
SCHEMBL7973569 0.81 NR3C2 (0.63) SERPINA6NR3C2SHBGNR3C1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117491639-A Primary aldosteronism screening kit and diagnostic and typing diagnostic system 凯莱谱科技股份有限公司 2024-02-02 CN disclosed
CN-114895043-B Primary aldosteronism screening kit and definite diagnosis and typing diagnosis system 杭州凯莱谱精准医疗检测技术有限公司 2022-12-13 CN disclosed
CN-115184525-A Method for simultaneously detecting compounds with large difference in neutral properties in same sample 裕菁科技(上海)有限公司 2022-10-14 CN disclosed
CN-114895043-A Primary aldosteronism screening kit and definite diagnosis and typing diagnosis system 杭州凯莱谱精准医疗检测技术有限公司 2022-08-12 CN disclosed
EP-2583208-A2 APPARATUS, METHOD AND COMPUTER-READABLE STORAGE MEDIUM FOR EVALUATING A PHYSIOLOGICAL CONDITION OF A PATIENT Jumplion, Inc. (US) 2013-04-24 EP disclosed
WO-2011159996-A2 APPARATUS, METHOD AND COMPUTER-READABLE STORAGE MEDIUM FOR EVALUATING A PHYSIOLOGICAL CONDITION OF A PATIENT JUMPLION, INC. (US) 2011-12-22 WO disclosed
EP-1644743-A1 THYROID HORMONE ANALYSIS BY MASS SPECTROMETRY GEORGETOWN UNIVERSITY (US) 2006-04-12 EP disclosed
WO-2004090553-A1 THYROID HORMONE ANALYSIS BY MASS SPECTROMETRY GEORGETOWN UNIVERSITY (US) 2004-10-21 WO disclosed