SCHEMBL28240486

SCHEMBL28240486

C=CC(=O)OCCCCCCCCCCCCC.C=CC(=O)Oc1ccccc1.C=COC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.49
TSHR P16473 4/20 0.49
HPGD P15428 1/20 0.49
THRA P10827 1/20 0.48
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 2/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.44
LMNA P02545 1/20 0.44
FAAH O00519 6/20 0.44
HCAR2 Q8TDS4 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL10626296 0.91 TSHR (0.58) THRBTSHRHPGDTHRAALDH1A1
SCHEMBL6055681 0.91 TSHR (0.58) THRBTSHRHPGDTHRAALDH1A1
SCHEMBL8634226 0.91 TSHR (0.58) THRBTSHRHPGDTHRAALDH1A1
Styrene SCHEMBL28987366 0.88 TSHR (0.49) THRBTSHRHPGDTHRAALDH1A1
SCHEMBL13372762 0.86 TSHR (0.67) THRBTSHRHPGDTHRAALDH1A1
SCHEMBL5282399 0.86 TSHR (0.66) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL28168011 0.83 THRB (0.46) THRBTHRAALDH1A1MAPK1
Styrene SCHEMBL28043153 0.83 TSHR (0.55) THRBTSHRHPGDTHRAALDH1A1
Methacrylic Acid SCHEMBL4578194 0.82 TSHR (0.57) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL28568977 0.82 TSHR (0.54) THRBTSHRHPGDTHRAALDH1A1

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-108456279-A A kind of pour point depressant for crude oil and the preparation method and application thereof 杨冰川 2018-08-28 CN claimed
CN-108456279-A A kind of pour point depressant for crude oil and the preparation method and application thereof 杨冰川 2018-08-28 CN disclosed