SCHEMBL29150896

SCHEMBL29150896

Cc1cc(O)c(C(=O)C(F)C(F)CF)c(=O)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
KMT2A Q03164 10/20 0.45
MEN1 O00255 9/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
PPARG P37231 2/20 0.40
USP2 O75604 2/20 0.40
PKM P14618 2/20 0.39
NR3C1 P04150 1/20 0.39
GAA P10253 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7607429 0.77 FFAR1 (0.53) ELANEKMT2AMEN1POLBL3MBTL1
SCHEMBL7219029 0.76 ELANE (0.55) ELANEKMT2AMEN1POLBL3MBTL1
SCHEMBL6026809 0.71 MEN1 (0.55) ELANEKMT2AMEN1POLBL3MBTL1
SCHEMBL1308058 0.71 KMT2A (0.59) ELANEKMT2AMEN1POLBL3MBTL1
SCHEMBL6026933 0.70 ELANE (0.68) ELANEKMT2AMEN1POLBL3MBTL1
SCHEMBL7221645 0.70 ELANE (0.58) ELANEKMT2AMEN1POLBL3MBTL1
SCHEMBL11227804 0.70 KMT2A (0.58) ELANEKMT2AMEN1POLBL3MBTL1
SCHEMBL6026095 0.70 ELANE (0.48) ELANEKMT2AMEN1POLBL3MBTL1
SCHEMBL7223148 0.69 ELANE (0.53) ELANEKMT2AMEN1POLBL3MBTL1
SCHEMBL27035967 0.68 ELANE (0.88) ELANEKMT2AMEN1POLBL3MBTL1

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-117143062-A 3-substituted 4-hydroxy-2-pyrone compound, preparation method and application 西北农林科技大学 2023-12-01 CN disclosed