SCHEMBL10930754

SCHEMBL10930754

C=C(C)C(=O)Oc1c(Br)cc(Br)cc1C(=O)OCCCOC(=O)c1cc(Br)cc(Br)c1OC(=O)C(=C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.38
ESR1 P03372 2/20 0.36
PTPN2 P17706 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
TSHR P16473 3/20 0.35
GAA P10253 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL297222 0.80 HSD17B10 (0.44) HSD17B10KMT2ATSHRTDP1ATM
SCHEMBL10604787 0.79 TSHR (0.46) HSD17B10KMT2ATSHRTDP1
SCHEMBL13813635 0.74 HSD17B10 (0.40) HSD17B10KMT2ATSHRATM
SCHEMBL3413337 0.72 THRB (0.45) HSD17B10KMT2ATSHRTDP1
SCHEMBL10935249 0.71 CYP3A4 (0.41) HSD17B10KMT2APTPN2TSHR
SCHEMBL7620486 0.71 HSD17B10 (0.37) HSD17B10KMT2ATDP1ATM
SCHEMBL1837592 0.71 HSD17B10 (0.37) HSD17B10KMT2AATM
SCHEMBL7618929 0.71 GABRA1 (0.41) HSD17B10TSHR
SCHEMBL11169252 0.69 THRB (0.47) TSHRTDP1
SCHEMBL5704237 0.69 THRB (0.49) HSD17B10KMT2ATSHRGAATDP1

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
JP-60146845-A None JP disclosed
JP-S60146845-A (METH)ACRYLOYL SALICYLATE DERIVATIVE NIPPON KOGAKU KK <NIKON> 1985-08-02 JP disclosed