SCHEMBL23177650

SCHEMBL23177650

CN(C)CCCC[C@H](N)C(=O)NCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 3/20 0.52
▸ TTR P02766 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TBXA2R P21731 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CA12 O43570 5/20 0.45
▸ CA4 P22748 5/20 0.45
▸ CA9 Q16790 5/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ PTGS2 P35354 4/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ AKR1B10 O60218 1/20 0.43
▸ UGT1A9 O60656 1/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ MT-CO2 P00403 1/20 0.43

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
SCHEMBL23158653 0.87 TTR (0.53) CXCL8TTRCYP2C9USP2LMNA
SCHEMBL23158662 0.86 TTR (0.50) CXCL8TTRCYP2C9USP2LMNA
SCHEMBL23158798 0.85 TTR (0.54) CXCL8TTRCYP2C9USP2LMNA
SCHEMBL23158633 0.84 TTR (0.58) CXCL8TTRCYP2C9USP2LMNA
SCHEMBL23177648 0.84 CXCL8 (0.46) CXCL8TTRCYP2C9USP2LMNA
SCHEMBL10801244 0.83 TTR (0.59) CXCL8TTRCYP2C9USP2LMNA
Acetic Acid SCHEMBL10800042 0.81 TTR (0.59) CXCL8TTRCYP2C9USP2LMNA
SCHEMBL23158582 0.80 TTR (0.51) CXCL8TTRCYP2C9USP2LMNA
SCHEMBL23177851 0.77 TTR (0.51) CXCL8TTRCYP2C9USP2LMNA
SCHEMBL21401044 0.76 CA12 (0.63) CXCL8TTRCYP2C9USP2LMNA

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-2021060395-A1 SUSTAINED-RELEASE PHARMACEUTICAL COMPOSITION 持田製薬株式会社 2021-04-01 — — WO disclosed
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