SCHEMBL29289385

SCHEMBL29289385

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 9/20 0.69
LMNA P02545 2/20 0.69
EPHA2 P29317 2/20 0.69
HSD17B10 Q99714 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
AKR1B10 O60218 1/20 0.69
AKR1B1 P15121 1/20 0.69
EFNA1 P20827 1/20 0.69
PSEN1 P49768 1/20 0.69
PSEN2 P49810 1/20 0.69
APH1B Q8WW43 1/20 0.69
NCSTN Q92542 1/20 0.69
APH1A Q96BI3 1/20 0.69
PSENEN Q9NZ42 1/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
NR1H4 Q96RI1 2/20 0.59
NPC1L1 Q9UHC9 1/20 0.58
USP2 O75604 1/20 0.58
FNTA P49354 1/20 0.57

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
SCHEMBL29289387 0.89 GPBAR1 (0.58) GPBAR1LMNAEPHA2HSD17B10TDP1
SCHEMBL23483128 0.89 GPBAR1 (0.58) GPBAR1LMNAEPHA2HSD17B10TDP1
SCHEMBL25706709 0.89 LMNA (0.56) GPBAR1LMNAEPHA2HSD17B10TDP1
SCHEMBL29289386 0.87 GPBAR1 (0.65) GPBAR1LMNAEPHA2HSD17B10TDP1
SCHEMBL18092678 0.86 LMNA (0.78) GPBAR1LMNAEPHA2HSD17B10TDP1
SCHEMBL11406748 0.86 LMNA (0.78) GPBAR1LMNAEPHA2HSD17B10TDP1
SCHEMBL11415673 0.86 GPBAR1 (0.74) GPBAR1LMNAEPHA2HSD17B10TDP1
SCHEMBL14360882 0.86 LMNA (0.78) GPBAR1LMNAEPHA2HSD17B10TDP1
SCHEMBL18092664 0.86 LMNA (0.78) GPBAR1LMNAEPHA2HSD17B10TDP1
SCHEMBL3192872 0.86 LMNA (0.78) GPBAR1LMNAEPHA2HSD17B10TDP1

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
CN-113549123-A Preparation method of mouse deoxycholic acid 中山百灵生物技术股份有限公司 2021-10-26 CN disclosed