SCHEMBL2014270

SCHEMBL2014270

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.44
CTSG P08311 1/20 0.44
CTRB1 P17538 1/20 0.44
CMA1 P23946 1/20 0.44
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
SRC P12931 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 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
SCHEMBL2996805 0.79 TSHR (0.54) TSHRTDP1SLC6A3MAPK1KMT2A
SCHEMBL30368697 0.76 PRSS1 (0.45) PRSS1CTSGCTRB1CMA1TSHR
SCHEMBL28638750 0.76 TSHR (0.50) TSHRTDP1MAPK1POLBNPC1
SCHEMBL8858245 0.76 TDP1 (0.54) PRSS1CTSGCTRB1CMA1TSHR
SCHEMBL444012 0.74 MAPK1 (0.71) TSHRTDP1HTR1ACYP2D6SCN1A
SCHEMBL998239 0.74 TSHR (0.56) TSHRTDP1SLC6A3MAPK1KMT2A
SCHEMBL6504485 0.73 TSHR (0.50) TSHRTDP1SLC6A3MAPK1KMT2A
SCHEMBL6504482 0.73 TSHR (0.50) TSHRTDP1SLC6A3MAPK1KMT2A
SCHEMBL7553666 0.71 ALDH1A1 (0.57) TSHRTDP1KMT2ANPC1MEN1
SCHEMBL29709294 0.71 TSHR (0.44) PRSS1CTSGCTRB1CMA1TSHR

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
WO-2011074141-A1 PROCESS FOR TREATING KERATIN FIBERS L'OREAL (FR) 2011-06-23 WO disclosed