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SCHEMBL29126565

SCHEMBL29126565

CN1C(=O)CCC(N2Cc3cc(NC(=O)c4ccc(OCC5CN(C(=O)OC(C)(C)C)C5)cc4)ccc3C2=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 9/20 0.44
▸ CSNK1A1 P48729 8/20 0.44
▸ GPR119 Q8TDV5 3/20 0.40
▸ IKZF2 Q9UKS7 6/20 0.38
▸ NR1H4 Q96RI1 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CHEK2 O96017 1/20 0.35

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
SCHEMBL30341612 1.00 CRBN (0.44) CRBNCSNK1A1GPR119IKZF2NR1H4
SCHEMBL29126556 0.87 CRBN (0.61) CRBNCSNK1A1IKZF2
SCHEMBL30341653 0.87 CRBN (0.61) CRBNCSNK1A1IKZF2
SCHEMBL24078841 0.86 CRBN (0.50) CRBNCSNK1A1IKZF2NR1H4MCHR1
SCHEMBL30213204 0.86 CRBN (0.50) CRBNCSNK1A1IKZF2NR1H4MCHR1
SCHEMBL30341712 0.82 CRBN (0.53) CRBNCSNK1A1IKZF2
SCHEMBL29126518 0.82 CRBN (0.53) CRBNCSNK1A1IKZF2
SCHEMBL30213359 0.78 CRBN (0.68) CRBNCSNK1A1IKZF2NPC1RAB9A
SCHEMBL29126553 0.77 CRBN (0.62) CRBNCSNK1A1IKZF2
SCHEMBL30341676 0.76 CRBN (0.64) CRBNCSNK1A1IKZF2

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
CN-115768768-A Galectin-3 inhibitors 百时美施贵宝公司 2023-03-07 — — CN disclosed