SCHEMBL23710505

SCHEMBL23710505

COP(=O)(O)CCC(=O)NCC[C@@H](C)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 7/20 0.69
▸ MAPT P10636 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ USP2 O75604 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ SLC10A2 Q12908 2/20 0.68
▸ ABCC4 O15439 2/20 0.68
▸ TBXA2R P21731 1/20 0.64
▸ PDE3A Q14432 1/20 0.64
▸ NR1H4 Q96RI1 1/20 0.64
▸ CA1 P00915 6/20 0.59
▸ CA2 P00918 6/20 0.59
▸ VDR P11473 3/20 0.55
▸ EPHA2 P29317 1/20 0.55
▸ CYP2C9 P11712 1/20 0.53
▸ HIF1A Q16665 1/20 0.53

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
SCHEMBL26425472 0.91 GPBAR1 (0.70) GPBAR1MAPTMEN1KMT2AUSP2
SCHEMBL14485302 0.86 GPBAR1 (0.85) GPBAR1MAPTMEN1KMT2AUSP2
SCHEMBL23710389 0.85 GPBAR1 (0.69) GPBAR1MAPTMEN1KMT2AUSP2
SCHEMBL23710337 0.85 GPBAR1 (0.69) GPBAR1MAPTMEN1KMT2AUSP2
SCHEMBL23705047 0.85 GPBAR1 (0.69) GPBAR1MAPTMEN1KMT2AUSP2
SCHEMBL23705048 0.85 GPBAR1 (0.69) GPBAR1MAPTMEN1KMT2AUSP2
SCHEMBL26426372 0.85 GPBAR1 (0.77) GPBAR1MAPTMEN1KMT2AUSP2
SCHEMBL23710341 0.85 GPBAR1 (0.67) GPBAR1MAPTMEN1KMT2AUSP2
SCHEMBL23704718 0.85 GPBAR1 (0.67) GPBAR1MAPTMEN1KMT2AUSP2
SCHEMBL23710349 0.85 GPBAR1 (0.67) GPBAR1MAPTMEN1KMT2AUSP2

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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