SCHEMBL28378702

SCHEMBL28378702

CC(C)CCCCC(=O)OCC(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 3/20 0.43
LPAR1 Q92633 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 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
SCHEMBL28191333 0.87 MAPT (0.55) TLR2CYP3A4MAPTTSHRATM
SCHEMBL9574183 0.86 SMN1; SMN2 (0.44) TLR2CYP2D6TSHRTDP1ALDH1A1
SCHEMBL28191989 0.85 MAPT (0.58) TLR2MAPTALDH1A1KDM4E
SCHEMBL28377436 0.85 MAPT (0.58) TLR2MAPTALDH1A1KDM4E
SCHEMBL28886779 0.85 MAPT (0.58) TLR2MAPTALDH1A1KDM4E
SCHEMBL28378432 0.85 MAPT (0.58) TLR2MAPTALDH1A1KDM4E
SCHEMBL28384042 0.85 MAPT (0.58) TLR2MAPTALDH1A1KDM4E
SCHEMBL16202963 0.83 TLR2 (0.49) TLR2LPAR1CYP3A4CYP2D6CYP2C19
SCHEMBL27770588 0.82 ADRB2 (0.57) LPAR1ADRB2ADRB1ADRB3TDP1
SCHEMBL1532583 0.81 TLR2 (0.44) TLR2CYP3A4CYP2D6CYP2C19MAPT

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-107533878-B Electric insulating oil base oil for oil-filled electrical equipment, electric insulating oil containing same, and oil-filled electrical equipment 日新电机株式会社 2020-03-10 CN disclosed