SCHEMBL19996379

SCHEMBL19996379

C=CCCOc1cc(C(C)(C)C)c(OCCC=C)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ GAA P10253 3/20 0.37
▸ LMNA P02545 4/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL19996380 0.91 KDM4E (0.41) KDM4EKMT2AMEN1NPSR1ALDH1A1
SCHEMBL18559776 0.84 KDM4E (0.34) KDM4EKMT2AMEN1NPSR1ALDH1A1
SCHEMBL22215852 0.80 MEN1 (0.43) KDM4EKMT2AMEN1NPSR1ALDH1A1
SCHEMBL9808186 0.79 LMNA (0.37) KDM4EKMT2AMEN1NPSR1ALDH1A1
SCHEMBL18559780 0.78 MEN1 (0.31) KDM4EKMT2AMEN1NPSR1MAPK1
SCHEMBL12020058 0.77 KDM4E (0.36) KDM4ENPSR1MAPK1MAPTPPARA
SCHEMBL21689793 0.75 PTGS1 (0.41) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL31046787 0.75 CA2 (0.50) KMT2AMEN1NPSR1ALDH1A1GAA
SCHEMBL11937226 0.75 KDM4E (0.42) KDM4EKMT2AMEN1NPSR1ALDH1A1
SCHEMBL9978253 0.74 LMNA (0.47) KDM4EKMT2AALDH1A1GAALMNA

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
US-9929347-B2 Polymer compound and light emitting element using same SUMITOMO CHEMICAL COMPANY, LIMTIED (JP) 2018-03-27 — — US disclosed
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