SCHEMBL19996380

SCHEMBL19996380

C=CCCCOc1cc(C(C)(C)C)c(OCCCC=C)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ PPARA Q07869 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ THRA P10827 1/20 0.32
▸ THRB P10828 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
SCHEMBL19996379 0.91 KDM4E (0.39) KDM4EKMT2AMEN1NPSR1LMNA
SCHEMBL12020022 0.79 LMNA (0.37) KDM4EKMT2AMEN1NPSR1LMNA
SCHEMBL22215852 0.79 MEN1 (0.43) KDM4EKMT2AMEN1NPSR1LMNA
SCHEMBL12020023 0.78 CNR2 (0.41) KDM4EKMT2AMEN1NPSR1LMNA
SCHEMBL9808186 0.78 LMNA (0.37) KDM4EKMT2AMEN1NPSR1LMNA
SCHEMBL6232233 0.76 THRA (0.43) KDM4EKMT2AMEN1LMNAHTT
SCHEMBL18559776 0.76 KDM4E (0.34) KDM4EKMT2AMEN1NPSR1ALDH1A1
SCHEMBL18544203 0.75 KDM4E (0.44) KDM4EKMT2AMEN1NPSR1LMNA
SCHEMBL15854828 0.75 HPGD (0.40) KDM4ENPSR1LMNAHTTMAPK1
SCHEMBL21689793 0.74 PTGS1 (0.41) KDM4EKMT2AMEN1LMNAHTT

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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