SCHEMBL23158641

SCHEMBL23158641

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.49
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TTR P02766 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TBXA2R P21731 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TERT O14746 2/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CA12 O43570 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA4 P22748 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ NLN Q9BYT8 1/20 0.44

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
SCHEMBL23158643 0.84 CTSL (0.57) TERTMAPTSMN1; SMN2BCHEACHE
SCHEMBL23158633 0.83 TTR (0.58) LMNAKMT2AUSP2TTRCYP2C9
SCHEMBL10801244 0.80 TTR (0.59) LMNAKMT2AUSP2TTRCYP2C9
SCHEMBL23158798 0.80 TTR (0.54) LMNAKMT2AUSP2TTRCYP2C9
SCHEMBL23158653 0.78 TTR (0.53) LMNAKMT2AUSP2TTRCYP2C9
Acetic Acid SCHEMBL10800042 0.78 TTR (0.59) LMNAKMT2AUSP2TTRCYP2C9
SCHEMBL23158582 0.77 TTR (0.51) LMNAKMT2AUSP2TTRCYP2C9
SCHEMBL23177650 0.76 CXCL8 (0.52) LMNAKMT2AUSP2TTRCYP2C9
SCHEMBL21401044 0.75 CA12 (0.63) LMNAKMT2AUSP2TTRCYP2C9
SCHEMBL8818066 0.75 HDAC8 (0.60) HDAC8LMNAKMT2ATERTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021060351-A1 NSAID-BONDED ALGINIC ACID DERIVATIVE 持田製薬株式会社 2021-04-01 — — WO disclosed
WO-2021060395-A1 SUSTAINED-RELEASE PHARMACEUTICAL COMPOSITION 持田製薬株式会社 2021-04-01 — — WO disclosed
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