SCHEMBL30103323

SCHEMBL30103323

C[C@H](CCC(=O)OCOC(=O)CCP(=O)(CC(CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 11/20 0.64
▸ CA2 P00918 11/20 0.64
▸ GPBAR1 Q8TDU6 6/20 0.61
▸ MAPT P10636 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ TBXA2R P21731 1/20 0.55
▸ SLC10A2 Q12908 1/20 0.55
▸ PDE3A Q14432 1/20 0.55
▸ NR1H4 Q96RI1 1/20 0.55

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
SCHEMBL26424218 1.00 CA1 (0.64) CA1CA2GPBAR1MAPTMEN1
SCHEMBL26424224 1.00 CA1 (0.64) CA1CA2GPBAR1MAPTMEN1
SCHEMBL26426560 0.94 CA1 (0.59) CA1CA2GPBAR1MAPTMEN1
SCHEMBL23704682 0.93 GPBAR1 (0.60) CA1CA2GPBAR1MAPTMEN1
SCHEMBL23704681 0.93 GPBAR1 (0.60) CA1CA2GPBAR1MAPTMEN1
SCHEMBL23710363 0.93 CA1 (0.65) CA1CA2GPBAR1MAPTMEN1
SCHEMBL30103321 0.93 CA1 (0.65) CA1CA2GPBAR1MAPTMEN1
SCHEMBL26424097 0.92 CA1 (0.64) CA1CA2GPBAR1MAPTMEN1
SCHEMBL30103327 0.92 CA1 (0.59) CA1CA2GPBAR1MAPTMEN1
SCHEMBL26426837 0.92 CA1 (0.59) CA1CA2GPBAR1MAPTMEN1

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-4097119-B1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES UNIV JOHNS HOPKINS (US) 2025-05-07 — — EP disclosed
EP-4097119-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES The Johns Hopkins University (US) 2022-12-07 — — EP disclosed
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