SCHEMBL28296019

SCHEMBL28296019

C=CCC(CCCC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
TBXAS1 P24557 1/20 0.54
HDAC1 Q13547 7/20 0.51
HDAC8 Q9BY41 6/20 0.51
HDAC3 O15379 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
TSHR P16473 1/20 0.49
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL9352308 0.81 TSHR (0.70) L3MBTL1TDP1LMNAMAPTTBXAS1
SCHEMBL12854830 0.77 MAPT (0.68) L3MBTL1TDP1LMNAMAPTHDAC1
SCHEMBL7752392 0.77 FOLH1 (0.52) LMNAMAPTTSHRCYP2C19
SCHEMBL8411357 0.77 TDP1 (0.67) L3MBTL1TDP1LMNAMAPTHDAC1
SCHEMBL7068671 0.76 TDP1 (0.95) L3MBTL1TDP1LMNAMAPTHDAC1
SCHEMBL6406722 0.76 GRIK1 (0.52) MAPTTBXAS1HDAC1HDAC2CYP2C19
SCHEMBL29217264 0.76 MAPT (0.71) L3MBTL1TDP1LMNAMAPTTBXAS1
SCHEMBL2745649 0.75 TDP1 (0.64) L3MBTL1TDP1LMNAMAPTHDAC1
SCHEMBL9733024 0.75 GRIK1 (0.52) MAPTTBXAS1TSHRCYP2C19MAPK1
SCHEMBL9748537 0.74 CYP2C19 (0.50) TBXAS1CYP2C19CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810079-A A kind of synthetic method of polysubstituted dihydrofuran 浙江工业大学 2019-05-28 CN claimed
CN-109810079-A A kind of synthetic method of polysubstituted dihydrofuran 浙江工业大学 2019-05-28 CN disclosed