SCHEMBL28330002

SCHEMBL28330002

Oc1ccc(-c2cc(Cl)ccc2Cl)cc1.[KH]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
USP7 Q93009 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ESR2 Q92731 2/20 0.42
CNR2 P34972 1/20 0.42
ESR1 P03372 2/20 0.41
GFER P55789 1/20 0.41
TP53 P04637 2/20 0.41
ABL1 P00519 1/20 0.41
ABCB1 P08183 1/20 0.41
BCR P11274 1/20 0.41
AHR P35869 1/20 0.41

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
SCHEMBL2280325 0.98 HSD17B10 (0.48) HSD17B10ALDH1A1TSHRCYP3A4TDP1
SCHEMBL7778555 0.85 HSD17B10 (0.54) HSD17B10USP7ESR2ESR1ABL1
SCHEMBL2473835 0.84 AHR (0.54) HSD17B10ALDH1A1TSHRCYP3A4TDP1
SCHEMBL9441987 0.81 PIM1 (0.52) HSD17B10ALDH1A1TSHRCYP3A4MEN1
SCHEMBL1513663 0.81 MEN1 (0.58) HSD17B10TSHRMEN1MAPTKMT2A
SCHEMBL29041284 0.79 ALOX15 (0.48) HSD17B10MEN1MAPTKMT2AUSP7
SCHEMBL9616144 0.78 MMP2 (0.46) HSD17B10ALDH1A1TSHRCYP3A4MEN1
SCHEMBL21021636 0.78 ESR2 (0.50) HSD17B10ALDH1A1TSHRCYP3A4MAPT
SCHEMBL28351848 0.78 HSD17B10 (0.41) HSD17B10USP7ESR2ESR1ABL1
SCHEMBL9629264 0.77 HTR2B (0.50) ALDH1A1TSHRCYP3A4TDP1SMN1; SMN2

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-106478400-B A kind of method of the continuous Carboxylation salicylate of high pressure 江苏优士化学有限公司 2019-10-15 CN disclosed