SCHEMBL23984162

SCHEMBL23984162

CNC(=O)C(CCC=O)N1Cc2cc(N3CCC(CO)CC3)ccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.39
▸ ITGA2B P08514 2/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ ITGA5 P08648 1/20 0.39
▸ ITGB5 P18084 1/20 0.39
▸ THRB P10828 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SYK P43405 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ITGA2 P17301 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL23983490 0.90 ITGB3 (0.36) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL24207225 0.90 ALOX15 (0.38) THRBGAAKDM4EALOX15POLB
SCHEMBL22906777 0.88 ITGB3 (0.43) ITGB3ITGA2BTHRBGAAKDM4E
SCHEMBL27271167 0.87 LMNA (0.37) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL24421185 0.86 ITGB3 (0.35) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL24421199 0.85 THRB (0.36) THRBGAAKDM4EALOX15POLB
SCHEMBL27370457 0.83 CNR1 (0.39) LMNAMAPTSYKALDH1A1
SCHEMBL24421384 0.83 ITGB3 (0.37) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL22907292 0.82 THRB (0.33) THRBGAAKDM4EALOX15POLB
SCHEMBL26847910 0.81 ITGB3 (0.49) ITGB3ITGA2BTHRBGAAKDM4E

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-2021219070-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-11-04 — — WO disclosed
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