SCHEMBL31373145

SCHEMBL31373145

Cc1c(C(=O)O)cc(C(=O)O)c(C(=O)O)c1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LDHA P00338 2/20 0.39
LDHB P07195 2/20 0.39
CSNK2A1 P68400 1/20 0.39
CYP3A4 P08684 1/20 0.39
ACHE P22303 1/20 0.39
NOTUM Q6P988 2/20 0.38
GPR35 Q9HC97 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
TPMT P51580 1/20 0.36

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
SCHEMBL14989172 1.00 KDM4E (0.47) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL756616 0.90 KDM4E (0.45) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL14989153 0.85 KDM4E (0.50) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL27411185 0.85 KDM4E (0.54) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL537616 0.84 CYP3A4 (0.47) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL10663487 0.84 KDM4E (0.44) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL5268292 0.82 CYP3A4 (0.50) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL4184562 0.82 CYP3A4 (0.45) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL32665463 0.81 LDHA (0.48) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL629005 0.80 KDM4E (0.42) KDM4EKMT2AMEN1TDP1LDHA

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-2024246322-A1 TPU WITH CYCLIC ADDITIVES BASF SE (DE) 2024-12-05 WO disclosed