SCHEMBL23158577

SCHEMBL23158577

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 8/20 0.51
▸ CTSK P43235 7/20 0.51
▸ CTSL P07711 3/20 0.51
▸ CTSB P07858 3/20 0.51
▸ TTR P02766 2/20 0.50
▸ AKT1 P31749 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TBXA2R P21731 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ AKR1B10 O60218 1/20 0.44
▸ UGT1A9 O60656 1/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ ABCB11 O95342 1/20 0.44
▸ MT-CO2 P00403 1/20 0.44
▸ ALB P02768 1/20 0.44
▸ CXCL8 P10145 1/20 0.44
▸ UGT1A6 P19224 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
SCHEMBL23177649 0.91 TTR (0.50) CTSSCTSKTTRUSP2LMNA
SCHEMBL23158632 0.91 TTR (0.50) CTSSCTSKTTRUSP2LMNA
SCHEMBL23158592 0.87 TTR (0.54) TTRUSP2LMNACYP2C9TBXA2R
SCHEMBL23158797 0.87 TTR (0.46) CTSSCTSKTTRUSP2LMNA
SCHEMBL23158643 0.86 CTSL (0.57) CTSSCTSKCTSL
SCHEMBL23177646 0.86 TTR (0.45) CTSSCTSKTTRUSP2LMNA
SCHEMBL23158581 0.86 TTR (0.45) CTSSCTSKTTRUSP2LMNA
SCHEMBL23158609 0.86 TTR (0.50) TTRUSP2LMNACYP2C9TBXA2R
SCHEMBL23177648 0.85 CXCL8 (0.46) CTSSCTSKTTRUSP2LMNA
SCHEMBL17001513 0.85 TTR (0.59) TTRUSP2LMNACYP2C9TBXA2R

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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