SCHEMBL20879871

SCHEMBL20879871

CCCCC1(C)c2ccccc2Oc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 4/20 0.35
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
ALOX12 P18054 2/20 0.33
CHRM3 P20309 1/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2A P28223 1/20 0.32
CYP2C9 P11712 1/20 0.31

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
SCHEMBL27732355 0.93 MMP2 (0.36) KMT2AMAPTMEN1ALDH1A1ALOX12
SCHEMBL11994185 0.89 ALOX5 (0.35) KMT2AMAPTMEN1ALOX5CHRM3
SCHEMBL2969980 0.83 ELANE (0.40) KMT2AMAPTMEN1ALOX5ALDH1A1
SCHEMBL27686527 0.79 ALOX12 (0.41) KMT2AMAPTMEN1ALDH1A1ALOX12
SCHEMBL21437165 0.76 MMP2 (0.43) KMT2AMAPTMEN1ALOX12ELANE
SCHEMBL30083981 0.76 MMP2 (0.43) KMT2AMAPTMEN1ALOX12ELANE
SCHEMBL4667749 0.76 HTR2A (0.53) ALOX5CHRM3HTR2A
SCHEMBL10524713 0.75 KMT2A (0.36) KMT2AMAPTMEN1ALOX5TDP1
SCHEMBL4026035 0.75 CHRM3 (0.38) KMT2AMEN1ALOX5CHRM3NPSR1
SCHEMBL19084269 0.74 HTR2A (0.61) ALDH1A1ALOX12OPRM1OPRL1HTR2A

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
EP-3247770-B1 ORGANIC MOLECULES, IN PARTICULAR, FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2019-04-10 EP disclosed