SCHEMBL19944724

SCHEMBL19944724

CCc1cccc(OCC(COc2cccc(CC)c2)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 3/20 0.48
TSHR P16473 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SOD1 P00441 1/20 0.47
GAA P10253 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
MAOB P27338 1/20 0.41
CYP2C9 P11712 1/20 0.41
POLB P06746 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
SCHEMBL12075673 0.91 KDM4E (0.45) KDM4EALDH1A1MAPK1TSHRL3MBTL1
SCHEMBL12075674 0.91 KDM4E (0.45) KDM4EALDH1A1MAPK1TSHRL3MBTL1
SCHEMBL12648147 0.85 KDM4E (0.48) KDM4EALDH1A1MAPK1TSHRL3MBTL1
SCHEMBL322457 0.82 KDM4E (0.50) KDM4EALDH1A1MAPK1TSHRL3MBTL1
SCHEMBL7766672 0.82 TSHR (0.45) KDM4EALDH1A1MAPK1TSHRL3MBTL1
SCHEMBL7766667 0.81 TSHR (0.41) KDM4EALDH1A1MAPK1TSHRL3MBTL1
SCHEMBL20201962 0.81 ALDH1A1 (0.49) KDM4EALDH1A1MAPK1TSHRL3MBTL1
SCHEMBL19944358 0.80 TSHR (0.62) KDM4EMAPK1TSHRMAOBCYP2C9
SCHEMBL12075484 0.80 MAPK1 (0.46) KDM4EALDH1A1MAPK1TSHRL3MBTL1
SCHEMBL11162901 0.79 GPBAR1 (0.50) KDM4EALDH1A1MAPK1TSHRL3MBTL1

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-2018041132-A1 MONOMER, POLYMER, PREPARATION METHOD THEREFOR AND USE THEREOF 广东东阳光药业有限公司 2018-03-08 WO disclosed