SCHEMBL28429252

SCHEMBL28429252

CCCCOCCOC(C)CCOC(=O)CCCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.45
PAM P19021 2/20 0.42
MAPT P10636 1/20 0.40
PLA2G4B P0C869 1/20 0.40
AKR1B1 P15121 1/20 0.40
TSHR P16473 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
DNM1 Q05193 1/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 2/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
GPR84 Q9NQS5 5/20 0.39
HDAC11 Q96DB2 5/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
FABP4 P15090 2/20 0.39

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
SCHEMBL18166517 0.94 DGKA (0.50) DGKAPAMMAPTTSHRTDP1
SCHEMBL10781727 0.92 DGKA (0.50) DGKAPAMMAPTAKR1B1TSHR
SCHEMBL439160 0.84 DGKA (0.63) DGKAPAMPLA2G4BAKR1B1TSHR
SCHEMBL125146 0.84 DGKA (0.63) DGKAPAMPLA2G4BAKR1B1TSHR
SCHEMBL2771453 0.84 DGKA (0.63) DGKAPAMPLA2G4BAKR1B1TSHR
SCHEMBL17923147 0.84 DGKA (0.63) DGKAPAMPLA2G4BAKR1B1TSHR
SCHEMBL7719575 0.82 DGKA (0.67) DGKAPAMPLA2G4BAKR1B1TSHR
SCHEMBL17698430 0.82 DGKA (0.67) DGKAPAMPLA2G4BAKR1B1TSHR
SCHEMBL28060676 0.82 DGKA (0.67) DGKAPAMPLA2G4BAKR1B1TSHR
SCHEMBL11209246 0.82 DGKA (0.67) DGKAPAMPLA2G4BAKR1B1TSHR

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-106459514-B Tread rubber composition and pneumatic tire 住友橡胶工业株式会社 2020-07-03 CN disclosed