SCHEMBL31413166

SCHEMBL31413166

CC[C@@H](CC=O)Cn1c(CCl)nc2ccc(C(=O)OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ DRD2 P14416 2/20 0.38
▸ TBXA2R P21731 2/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CFTR P13569 1/20 0.35
▸ TLR8 Q9NR97 3/20 0.35
▸ TLR7 Q9NYK1 3/20 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
SCHEMBL31143264 0.84 TP53 (0.50) ACSS2KDM4ETP53MAPTTHRB
SCHEMBL30474209 0.82 TLR7 (0.48) ACSS2KDM4ETP53MAPTTHRB
SCHEMBL31202954 0.81 ACSS2 (0.46) ACSS2KDM4ETP53MAPTTHRB
SCHEMBL26237230 0.81 ACSS2 (0.46) ACSS2KDM4ETP53MAPTTHRB
SCHEMBL24265281 0.78 ACSS2 (0.49) ACSS2KDM4EDRD2TBXA2RCNR2
SCHEMBL31413142 0.78 ACSS2 (0.49) ACSS2KDM4EMAPTDRD2TBXA2R
SCHEMBL27478696 0.78 ACSS2 (0.43) ACSS2KDM4ETP53MAPTTHRB
SCHEMBL27478697 0.78 ACSS2 (0.43) ACSS2KDM4ETP53MAPTTHRB
SCHEMBL20280108 0.76 TLR7 (0.48) ACSS2KDM4ETP53DRD2TBXA2R
SCHEMBL29559474 0.76 TLR7 (0.48) ACSS2KDM4ETP53DRD2TBXA2R

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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