SCHEMBL28032490

SCHEMBL28032490

C=CC(=O)OCCCC.CCCCCCCCCCCCCCCCCCC=C(C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.63
HPGD P15428 1/20 0.63
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.50
EP300 Q09472 1/20 0.46
HCAR2 Q8TDS4 3/20 0.45
ATM Q13315 1/20 0.45
FAAH O00519 1/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 2/20 0.38
NAAA Q02083 1/20 0.37

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
SCHEMBL8899317 1.00 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4EP300
SCHEMBL7198246 0.97 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4EP300
SCHEMBL9242066 0.97 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4EP300
SCHEMBL8641969 0.94 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4EP300
SCHEMBL9776659 0.90 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4EP300
SCHEMBL9517498 0.90 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4EP300
SCHEMBL4250773 0.90 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4EP300
SCHEMBL20553764 0.90 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4EP300
SCHEMBL8009298 0.89 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4EP300
SCHEMBL6710670 0.89 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4HCAR2

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-105025876-A Improved foaming performance in cleansing compositions through the use of nonionic, amphiphilic polymers LUBRIZOL ADVANCED MAT INC 2015-11-04 CN claimed