SCHEMBL31366944

SCHEMBL31366944

Cc1c(C(=O)O)cccc1C1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.36
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
FABP4 P15090 3/20 0.33
ORAI1 Q96D31 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ACLY P53396 1/20 0.33
HSP90AA1 P07900 1/20 0.32
MYC P01106 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FABP3 P05413 1/20 0.32
PDK2 Q15119 2/20 0.31
USP2 O75604 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL38662701 0.93 ACLY (0.37) SYKHPGDALDH1A1POLBSMN1; SMN2
SCHEMBL31366951 0.90 SYK (0.35) SYKHPGDALDH1A1POLBSMN1; SMN2
SCHEMBL1936965 0.90 FABP4 (0.34) HPGDFABP4ORAI1CA1CA2
SCHEMBL11889579 0.88 PDK2 (0.43) ALDH1A1SMN1; SMN2MRGPRX4ORAI1MEN1
SCHEMBL28971257 0.86 ACLY (0.38) HPGDSMN1; SMN2ORAI1CA1CA2
SCHEMBL28971262 0.86 ACLY (0.38) HPGDSMN1; SMN2ORAI1CA1CA2
SCHEMBL737447 0.84 PDK2 (0.39) FABP4PDK2
SCHEMBL21863425 0.83 PDK2 (0.36) HPGDALDH1A1ORAI1CA1CA2
SCHEMBL871382 0.83 PDK2 (0.36) HPGDALDH1A1ORAI1CA1CA2
SCHEMBL3661964 0.82 HPGD (0.33) HPGD

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
CN-119285566-A Isoxazolines Compounds and uses thereof 深圳大学 2025-01-10 CN disclosed