SCHEMBL30524945

SCHEMBL30524945

C[C@H](CCC(=O)NCC(=O)O)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](OS(=O)(=O)O)C[C@H]1C[C@H]3O

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 4/20 0.79
ABCC1 P33527 1/20 0.79
GPBAR1 Q8TDU6 8/20 0.75
NR1H4 Q96RI1 6/20 0.75
ABCB11 O95342 4/20 0.75
ENPP2 Q13822 2/20 0.75
SLC10A1 Q14973 3/20 0.66
SLC10A2 Q12908 4/20 0.65
PLA2G1B P04054 1/20 0.64
VDR P11473 1/20 0.64
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.60
LMNA P02545 1/20 0.60
CYP2C19 P33261 1/20 0.60
CHRM2 P08172 1/20 0.60
ADRA2A P08913 1/20 0.60
ADRA1A P35348 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL232879 1.00 ABCC4 (0.79) ABCC4ABCC1GPBAR1NR1H4ABCB11
SCHEMBL232878 1.00 ABCC4 (0.79) ABCC4ABCC1GPBAR1NR1H4ABCB11
SCHEMBL31197012 1.00 ABCC4 (0.79) ABCC4ABCC1GPBAR1NR1H4ABCB11
SCHEMBL1655229 1.00 ABCC4 (0.79) ABCC4ABCC1GPBAR1NR1H4ABCB11
SCHEMBL28901763 0.91 VDR (0.77) ABCC4ABCC1GPBAR1NR1H4ABCB11
SCHEMBL18280265 0.91 VDR (0.77) ABCC4ABCC1GPBAR1NR1H4ABCB11
SCHEMBL1655224 0.91 VDR (0.77) ABCC4ABCC1GPBAR1NR1H4ABCB11
SCHEMBL1654530 0.91 VDR (0.77) ABCC4ABCC1GPBAR1NR1H4ABCB11
SCHEMBL18280267 0.91 VDR (0.77) ABCC4ABCC1GPBAR1NR1H4ABCB11
Taurochenodeoxycholate Sulfate SCHEMBL29428419 0.89 SLC10A1 (0.81) ABCC4ABCC1GPBAR1NR1H4ABCB11

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-120054587-A Efficient low-cost preparation of g-C3N4Method for loading Fe, mn bimetallic catalyst 湖南工业大学 2025-05-30 CN disclosed
CN-118706971-A Urine bile acid diagnostic marker for intrahepatic cholestasis in gestation period and application thereof 重庆医科大学国际体外诊断研究院 2024-09-27 CN disclosed
CN-112326948-B Biomarker for predicting diabetes, kit and using method thereof 上海市内分泌代谢病研究所 2023-08-11 CN disclosed
CN-112326948-B Biomarker for predicting diabetes, kit and using method thereof 上海市内分泌代谢病研究所 2023-08-11 CN disclosed