SCHEMBL28257521

SCHEMBL28257521

CCCC(CCC(=O)OCC(C)C)C(=O)OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
TSHR P16473 5/20 0.41
CYP3A4 P08684 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
LMNA P02545 2/20 0.38
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 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
SCHEMBL679135 0.89 HDAC1 (0.46) MAPTTSHRCYP3A4TDP1HDAC1
SCHEMBL15135802 0.87 TSHR (0.42) MAPTTSHRCYP3A4TDP1ATM
SCHEMBL27899560 0.87 MAPT (0.53) MAPTTSHRCYP3A4TDP1ATM
SCHEMBL28148945 0.84 RECQL (0.42) MAPTTSHRCYP3A4TDP1ATM
SCHEMBL28202332 0.83 HDAC1 (0.42) TSHRCYP3A4TDP1HDAC1HDAC2
SCHEMBL31142155 0.81 MAPT (0.44) MAPTTSHRCYP3A4TDP1ATM
SCHEMBL7217708 0.81 CA2 (0.47) TSHRCYP3A4TDP1HDAC1HDAC2
SCHEMBL22501908 0.80 CA1 (0.43) MAPTTDP1HDAC1HDAC2HDAC7
SCHEMBL9507708 0.79 L3MBTL1 (0.51) TSHRCYP3A4TDP1ATMHDAC1
SCHEMBL28257484 0.79 CYP3A4 (0.71) MAPTTSHRCYP3A4TDP1ATM

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-108779058-A Plasticizer composition and method for preparing the same 株式会社LG化学 2018-11-09 CN disclosed