SCHEMBL31413142

SCHEMBL31413142

CCC(=O)Cn1c(CCl)nc2ccc(C(=O)OC)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.46
▸ DRD2 P14416 2/20 0.42
▸ TBXA2R P21731 2/20 0.42
▸ HTT P42858 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ KLF5 Q13887 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39

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
SCHEMBL24265281 0.84 ACSS2 (0.49) ACSS2KDM4EDRD2TBXA2RHTT
SCHEMBL20280108 0.82 TLR7 (0.48) ACSS2KDM4EDRD2TBXA2RHTT
SCHEMBL29559474 0.82 TLR7 (0.48) ACSS2KDM4EDRD2TBXA2RHTT
SCHEMBL27111163 0.82 ACSS2 (0.44) ACSS2KDM4EDRD2TBXA2RHTT
SCHEMBL27117221 0.82 ACSS2 (0.44) ACSS2KDM4EDRD2TBXA2RHTT
SCHEMBL31143264 0.82 TP53 (0.50) ACSS2KDM4EDRD2TBXA2RHTT
Hydrochloric Acid SCHEMBL20266404 0.81 TLR7 (0.47) ACSS2KDM4EDRD2TBXA2RHTT
SCHEMBL30474209 0.81 TLR7 (0.48) ACSS2KDM4EDRD2TBXA2RCNR2
SCHEMBL31202954 0.81 ACSS2 (0.46) ACSS2KDM4EDRD2TBXA2RHTT
SCHEMBL26237230 0.81 ACSS2 (0.46) ACSS2KDM4EDRD2TBXA2RHTT

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-119343339-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2025-01-21 — — CN disclosed
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