Lithocholic Acid

Lithocholic Acid

SCHEMBL22756077

C[C@H](CCC(=O)O)C1CCC2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 7/20 1.00
▸ EPHA2 P29317 4/20 1.00
▸ CASP7 P55210 3/20 1.00
▸ VDR P11473 3/20 1.00
▸ HIF1A Q16665 3/20 1.00
▸ TP53 P04637 2/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ HSD17B10 Q99714 2/20 1.00
▸ BLM P54132 2/20 1.00
▸ TDP1 Q9NUW8 2/20 1.00
▸ USP2 O75604 2/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ NR1H4 Q96RI1 2/20 1.00
▸ LMNA P02545 2/20 1.00
▸ MDM4 O15151 1/20 1.00
▸ MAPT P10636 1/20 1.00
▸ HSPD1 P10809 1/20 1.00
▸ TSHR P16473 1/20 1.00
▸ PTPN2 P17706 1/20 1.00
▸ PTPN1 P18031 1/20 1.00

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
Lithocholic Acid SCHEMBL22894393 1.00 GPBAR1 (1.00) GPBAR1EPHA2CASP7VDRHIF1A
Lithocholic Acid SCHEMBL22871939 1.00 GPBAR1 (1.00) GPBAR1EPHA2CASP7VDRHIF1A
Lithocholic Acid SCHEMBL22079173 1.00 GPBAR1 (1.00) GPBAR1EPHA2CASP7VDRHIF1A
Lithocholic Acid SCHEMBL24001494 1.00 GPBAR1 (1.00) GPBAR1EPHA2CASP7VDRHIF1A
Lithocholic Acid SCHEMBL22894425 1.00 GPBAR1 (1.00) GPBAR1EPHA2CASP7VDRHIF1A
Lithocholic Acid SCHEMBL23923735 1.00 GPBAR1 (1.00) GPBAR1EPHA2CASP7VDRHIF1A
Lithocholic Acid SCHEMBL24001453 1.00 GPBAR1 (1.00) GPBAR1EPHA2CASP7VDRHIF1A
Lithocholic Acid SCHEMBL24567422 1.00 GPBAR1 (1.00) GPBAR1EPHA2CASP7VDRHIF1A
Lithocholic Acid SCHEMBL22415871 1.00 GPBAR1 (1.00) GPBAR1EPHA2CASP7VDRHIF1A
Lithocholic Acid SCHEMBL21841344 1.00 GPBAR1 (1.00) GPBAR1EPHA2CASP7VDRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3360882-B1 11-HYDROXYL-6-SUBSTITUTED-DERIVATIVES OF BILE ACIDS AND AMINO ACID CONJUGATES THEREOF AS FARNESOID X RECEPTOR MODULATORS INTERCEPT PHARMACEUTICALS INC (US) 2020-12-09 — — EP disclosed
EP-3360881-B1 11-HYDROXYL-6-SUBSTITUTED-DERIVATIVES OF BILE ACIDS AND AMINO ACID CONJUGATES THEREOF AS FARNESOID X RECEPTOR MODULATORS INTERCEPT PHARMACEUTICALS INC (US) 2020-12-09 — — EP disclosed
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