SCHEMBL27068616

SCHEMBL27068616

CNC(CCC(=O)NCC(OC)C(O)C(O)C(O)CO)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ SLCO1B1 Q9Y6L6 1/20 0.33
▸ MMP2 P08253 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ TGFBR1 P36897 1/20 0.31

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
SCHEMBL31370383 0.87 KDM4E (0.43) KDM4EPDE4AGPBAR1USP2SLCO1B1
SCHEMBL27068785 0.82 GPBAR1 (0.34) KDM4EGPBAR1MMP2MMP9MMP8
SCHEMBL26533468 0.76 KDM4E (0.43) KDM4EPDE4AGPBAR1USP2SLCO1B1
SCHEMBL25950269 0.76 KDM4E (0.43) KDM4EPDE4AGPBAR1USP2SLCO1B1
SCHEMBL27315841 0.76 KDM4E (0.43) KDM4EPDE4AGPBAR1USP2SLCO1B1
SCHEMBL27448156 0.74 KDM4E (0.41) KDM4EPDE4AGPBAR1MMP2MMP9
SCHEMBL27443608 0.74 KDM4E (0.41) KDM4EPDE4AGPBAR1MMP2MMP9
SCHEMBL27104564 0.73 KDM4E (0.37) KDM4EPDE4AGPBAR1USP2SLCO1B1
Meglumine SCHEMBL371153 0.71 KDM4E (0.53) KDM4EPDE4AUSP2SLCO1B1MMP2
Meglumine SCHEMBL11777 0.71 KDM4E (0.53) KDM4EPDE4AUSP2SLCO1B1MMP2

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-2024020164-A2 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. (US) 2024-01-25 — — WO disclosed
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