SCHEMBL28463446

SCHEMBL28463446

C=C(C(=O)O)C(C)(O)c1ccccc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 5/20 0.37
SLC13A5 Q86YT5 1/20 0.37
CYP2C9 P11712 1/20 0.37
BCAT2 O15382 1/20 0.37
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HNF4A P41235 1/20 0.35
HPGD P15428 1/20 0.34
BCL2L1 Q07817 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL11636501 0.75 ALDH1A1 (0.35) KMT2AMEN1SMN1; SMN2ALDH1A1SLC13A5
Bicarbonate SCHEMBL27471685 0.74 ALDH1A1 (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1CYP2C9
Bicarbonate SCHEMBL27754489 0.74 ALDH1A1 (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL28977531 0.74 KMT2A (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1HDAC4
SCHEMBL547913 0.74 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL6981900 0.74 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL3731316 0.73 SLC13A5 (0.43) KMT2AMEN1ALDH1A1SLC13A5CYP2C9
SCHEMBL1034696 0.73 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1TDP1MAPK1GAA
SCHEMBL10482084 0.70 PTPN5 (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1BCAT2
SCHEMBL11507354 0.70 ALDH1A1 (0.38) KMT2AMEN1SMN1; SMN2ALDH1A1CYP2C9

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-111690295-A Insulation structure ink for 3D ink-jet printed circuit board and application thereof 北京大华博科智能科技有限公司 2020-09-22 CN disclosed