SCHEMBL28876604

SCHEMBL28876604

Fc1ccc(F)cc1.Oc1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.37
HSD17B2 P37059 4/20 0.37
AR P10275 4/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CA2 P00918 2/20 0.32
ADAMTS4 O75173 1/20 0.32
EGFR P00533 1/20 0.32
CA1 P00915 1/20 0.32
LMNA P02545 1/20 0.32
FYN P06241 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL4891656 0.92 HSD17B1 (0.41) HSD17B1HSD17B2ARHSD11B1ALDH1A1
SCHEMBL28075389 0.90 HSD17B1 (0.40) HSD17B1HSD17B2ARHSD11B1ALDH1A1
SCHEMBL7179699 0.86 ALDH1A1 (0.45) HSD17B1HSD17B2ARHSD11B1ALDH1A1
SCHEMBL5512574 0.78 TDP1 (0.45) HSD17B1HSD17B2ARALDH1A1TDP1
SCHEMBL10659629 0.78 ALDH1A1 (0.50) HSD17B1HSD17B2ARHSD11B1ALDH1A1
SCHEMBL10659630 0.78 ALDH1A1 (0.56) HSD17B1HSD17B2ARHSD11B1ALDH1A1
SCHEMBL2000756 0.75 HSD11B1 (0.46) HSD11B1ALDH1A1TDP1TSHRCA2
SCHEMBL1125329 0.74 HSD17B1 (0.41) HSD17B1HSD17B2ARALDH1A1TDP1
SCHEMBL4120536 0.74 ALDH1A1 (0.38) HSD17B1HSD17B2ARALDH1A1TDP1
SCHEMBL30368333 0.74 ALDH1A1 (0.38) HSD17B1HSD17B2ARALDH1A1TDP1

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-110139844-A The method for being used to prepare the polyethylene wax of polymerization SCG化学有限公司 2019-08-16 CN claimed