SCHEMBL9166168

SCHEMBL9166168

COCCc1ccc(OCCNC(=O)c2cc(C(C)(C)C)nn2C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 2/20 0.46
RAB9A P51151 1/20 0.46
PPARG P37231 5/20 0.44
PPARA Q07869 5/20 0.44
PPARD Q03181 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
MAPK14 Q16539 2/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
CTSL P07711 2/20 0.40
KDM4E B2RXH2 2/20 0.39
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL8760124 0.92 GALR3 (0.44) GALR3RAB9APPARGPPARAPPARD
SCHEMBL8760069 0.80 L3MBTL1 (0.48) PPARGPPARAPPARDLMNATSHR
SCHEMBL8759402 0.78 KMT2A (0.41) GALR3RAB9ALMNAHPGDL3MBTL1
SCHEMBL8759340 0.78 KMT2A (0.52) GALR3RAB9ALMNAHPGDL3MBTL1
SCHEMBL8760383 0.77 MTNR1A (0.51) HPGDKDM4EALDH1A1
SCHEMBL9150964 0.76 TP53 (0.41) RAB9ALMNAHPGDL3MBTL1HRH3
SCHEMBL18124591 0.74 GALR3 (0.61) GALR3RAB9APPARGPPARAPPARD
SCHEMBL8759980 0.73 KDM4E (0.35) GALR3RAB9APPARGPPARAPPARD
SCHEMBL8760053 0.73 KDM4E (0.35) GALR3RAB9APPARGPPARAPPARD
SCHEMBL8760161 0.72 TSHR (0.35) GALR3RAB9APPARGPPARAPPARD

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
JP-7089937-A None JP disclosed
JP-H0789937-A PHENOXYALKYLAMINE DERIVATIVE, PRODUCTION THEREOF AND PEST-CONTROLLING AGENT FOR AGRICULTURAL AND HORTICULTURAL PURPOSES UBE IND LTD 1995-04-04 JP disclosed