SCHEMBL13523136

SCHEMBL13523136

CCOC(=O)C(Oc1ccc(Cl)cc1-n1nc2ccccc2n1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TSPO P30536 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ELANE P08246 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13523103 0.94 KDM4E (0.43) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13522965 0.94 ALDH1A1 (0.56) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13523149 0.93 KDM4E (0.46) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13523157 0.92 KDM4E (0.42) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13522968 0.91 KDM4E (0.42) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13523092 0.86 KDM4E (0.46) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13523145 0.86 PPARG (0.42) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13523120 0.85 PPARG (0.60) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13523094 0.85 KDM4E (0.42) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL13523147 0.85 PPARG (0.49) KDM4EALDH1A1HPGDCYP1A2CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 US disclosed