SCHEMBL23929211

SCHEMBL23929211

C[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.62
PLA2G2A P14555 5/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HSP90AA1 P07900 1/20 0.62
HSP90AB1 P08238 1/20 0.62
TRPM8 Q7Z2W7 3/20 0.56
SIRT2 Q8IXJ6 1/20 0.55
TACR1 P25103 1/20 0.54
ACE P12821 1/20 0.54
SCN9A Q15858 1/20 0.53
SSTR3 P32745 1/20 0.52
KLK7 P49862 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
HTR1D P28221 1/20 0.52
POLB P06746 1/20 0.52
CTSL P07711 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52

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
SCHEMBL23929215 1.00 LTA4H (0.62) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL27427419 0.93 SCN9A (0.58) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL30961940 0.93 SCN9A (0.58) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL31407830 0.90 MEN1 (0.73) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL1177004 0.87 SCN9A (0.66) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL9396327 0.86 LTA4H (0.63) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL21309458 0.85 HTR1A (0.57) MEN1KMT2ATACR1SCN9AKDM4E
SCHEMBL30811407 0.85 HTR1A (0.57) MEN1KMT2ATACR1SCN9AKDM4E
SCHEMBL30180917 0.85 HTR1A (0.57) MEN1KMT2ATACR1SCN9AKDM4E
SCHEMBL28511233 0.85 HTR1A (0.57) MEN1KMT2ATACR1SCN9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115667275-B Boron-containing compounds and uses thereof 南京再明医药有限公司 2024-02-23 CN disclosed
WO-2021213358-A1 BORON-CONTAINING COMPOUNDS AND APPLICATION THEREOF 江苏先声药业有限公司 (CN) 2021-10-28 WO disclosed
WO-2021213358-A1 BORON-CONTAINING COMPOUNDS AND APPLICATION THEREOF 江苏先声药业有限公司 (CN) 2021-10-28 WO disclosed