SCHEMBL23710376

SCHEMBL23710376

CC(Cc1ccccc1)C(=O)C(CCC(=O)OCOC(=O)CNC(=O)CC[C@@H](C)C1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C)CP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.57
▸ CA1 P00915 8/20 0.55
▸ CA2 P00918 8/20 0.55
▸ MAPT P10636 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ SLC10A2 Q12908 2/20 0.50
▸ ABCC4 O15439 1/20 0.50
▸ TBXA2R P21731 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ NR1H4 Q96RI1 1/20 0.49
▸ EPHA2 P29317 2/20 0.49

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
SCHEMBL23705078 0.94 GPBAR1 (0.60) GPBAR1CA1CA2MAPTMEN1
SCHEMBL23705077 0.94 GPBAR1 (0.60) GPBAR1CA1CA2MAPTMEN1
SCHEMBL30103332 0.93 GPBAR1 (0.60) GPBAR1CA1CA2MAPTMEN1
SCHEMBL26086519 0.88 CA1 (0.64) GPBAR1CA1CA2MAPTMEN1
SCHEMBL26086521 0.88 CA1 (0.64) GPBAR1CA1CA2MAPTMEN1
SCHEMBL26424127 0.88 GPBAR1 (0.59) GPBAR1CA1CA2MAPTMEN1
SCHEMBL23710363 0.88 CA1 (0.65) GPBAR1CA1CA2MAPTMEN1
SCHEMBL30103321 0.88 CA1 (0.65) GPBAR1CA1CA2MAPTMEN1
SCHEMBL26425971 0.86 GPBAR1 (0.66) GPBAR1CA1CA2MAPTMEN1
SCHEMBL23710338 0.85 GPBAR1 (0.58) GPBAR1CA1CA2MAPTMEN1

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
WO-2021155167-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2021-08-05 — — WO disclosed
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