SCHEMBL28795451

SCHEMBL28795451

C=C(C(=O)O)C(O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 5/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL5858513 0.81 HPGD (0.70) HPGDLMNAMAPK1ALDH1A1CES2
SCHEMBL1562538 0.81 HPGD (0.70) HPGDLMNAMAPK1ALDH1A1CES2
SCHEMBL2971437 0.81 HPGD (0.70) HPGDLMNAMAPK1ALDH1A1CES2
SCHEMBL14215891 0.80 HPGD (0.48) HPGDMEN1MAPTKMT2ALMNA
SCHEMBL17221240 0.80 HPGD (0.53) HPGDMEN1MAPTKMT2ALMNA
SCHEMBL28795492 0.80 HPGD (0.48) HPGDHDAC4HDAC7HDAC5MEN1
SCHEMBL13365386 0.79 CES2 (0.59) HPGDMEN1MAPTKMT2ANPC1
SCHEMBL28652823 0.79 CES2 (0.59) HPGDMEN1MAPTKMT2ANPC1
SCHEMBL196919 0.79 LMNA (0.62) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL196920 0.79 LMNA (0.62) HPGDHDAC3HDAC4HDAC1HDAC7

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-114656494-A Method for preparing allyl borate by using modified chitosan copper material 湖北工程学院 2022-06-24 CN disclosed