SCHEMBL28642678

SCHEMBL28642678

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.56
▸ EPHA2 P29317 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ AKR1B10 O60218 1/20 0.56
▸ AKR1B1 P15121 1/20 0.56
▸ EFNA1 P20827 1/20 0.56
▸ PSEN1 P49768 1/20 0.56
▸ PSEN2 P49810 1/20 0.56
▸ APH1B Q8WW43 1/20 0.56
▸ NCSTN Q92542 1/20 0.56
▸ APH1A Q96BI3 1/20 0.56
▸ PSENEN Q9NZ42 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ GRIN2A Q12879 1/20 0.48
▸ GRIN1 Q05586 2/20 0.45
▸ GRIN2B Q13224 2/20 0.45
▸ ST6GAL1 P15907 1/20 0.43

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
SCHEMBL28138635 0.89 GPBAR1 (0.56) GPBAR1EPHA2LMNAAKR1B10AKR1B1
SCHEMBL28642624 0.89 GPBAR1 (0.56) GPBAR1EPHA2LMNAAKR1B10AKR1B1
SCHEMBL28696373 0.88 GPBAR1 (0.55) GPBAR1EPHA2LMNAAKR1B10AKR1B1
SCHEMBL28646758 0.86 GPBAR1 (0.62) GPBAR1EPHA2LMNAAKR1B10AKR1B1
SCHEMBL5154459 0.86 GPBAR1 (0.62) GPBAR1EPHA2LMNAAKR1B10AKR1B1
SCHEMBL5667894 0.86 GPBAR1 (0.62) GPBAR1EPHA2LMNAAKR1B10AKR1B1
SCHEMBL28138634 0.86 GPBAR1 (0.62) GPBAR1EPHA2LMNAAKR1B10AKR1B1
SCHEMBL3130080 0.85 GPBAR1 (0.58) GPBAR1EPHA2LMNAAKR1B10AKR1B1
SCHEMBL28703638 0.84 GPBAR1 (0.61) GPBAR1EPHA2LMNAAKR1B10AKR1B1
Glycine SCHEMBL28353212 0.82 GPBAR1 (0.61) GPBAR1EPHA2LMNAAKR1B10AKR1B1

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-114133421-B Preparation method of beta-mouse cholic acid 中山百灵生物技术股份有限公司 2023-01-24 — — CN disclosed
CN-113336818-B Preparation method of alpha-murine cholic acid 中山百灵生物技术股份有限公司 2022-12-30 — — CN disclosed
CN-114133421-A Preparation method of beta-mouse cholic acid 中山百灵生物技术股份有限公司 2022-03-04 — — CN disclosed
CN-113336818-A Preparation method of alpha-murine cholic acid 中山百灵生物技术股份有限公司 2021-09-03 — — CN disclosed
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