SCHEMBL29709294

SCHEMBL29709294

COC(=C(C(=O)O)C(=O)O)c1ccccc1.OCC(CO)(CO)CO.OCC(CO)(CO)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
SRC P12931 1/20 0.41
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
HIF1A Q16665 1/20 0.40
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CES1 P23141 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 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
SCHEMBL998239 0.88 TSHR (0.56) TSHRSRCHPGDMAPK1KMT2A
SCHEMBL6504485 0.79 TSHR (0.50) TSHRSRCHPGDMAPK1KMT2A
SCHEMBL6504482 0.79 TSHR (0.50) TSHRSRCHPGDMAPK1KMT2A
SCHEMBL2996805 0.74 TSHR (0.54) TSHRSRCHPGDMAPK1KMT2A
Dibenzoylmethane SCHEMBL11177340 0.72 KMT2A (0.74) TSHRHPGDMAPK1HIF1AKMT2A
Benzoic Acid SCHEMBL1681320 0.72 TSHR (0.67) TSHRHPGDMAPK1HIF1AKMT2A
Benzoic Acid SCHEMBL2356436 0.72 TSHR (0.67) TSHRHPGDMAPK1HIF1AKMT2A
Benzoic Acid SCHEMBL9563651 0.72 TSHR (0.67) TSHRHPGDMAPK1HIF1AKMT2A
Benzoic Acid SCHEMBL8432316 0.72 TSHR (0.67) TSHRHPGDMAPK1HIF1AKMT2A
Benzoic Acid SCHEMBL11031846 0.72 TSHR (0.67) TSHRHPGDMAPK1HIF1AKMT2A

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-114828804-A Sunscreen composition 莱雅公司 2022-07-29 CN disclosed