SCHEMBL19360438

SCHEMBL19360438

CC(C)(c1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(Cl)cc4)c(F)c3F)c(F)c2F)cc1)c1ccc(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4ccc(Cl)cc4)c(F)c3F)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTR2A P28223 3/20 0.36
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 3/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
HPGD P15428 4/20 0.34
ALDH1A1 P00352 3/20 0.34
PPARG P37231 1/20 0.34
MAPT P10636 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARA Q07869 1/20 0.33
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL19360434 0.90 HSD17B10 (0.40) MEN1KMT2ASLC6A4HPGDALDH1A1
SCHEMBL19360435 0.86 MAOA (0.45) MEN1KMT2AHTR2ASLC6A4KCNH2
SCHEMBL19360416 0.85 TSHR (0.36) MEN1KMT2AHTR2ASLC6A4KCNH2
SCHEMBL14235929 0.84 HSD17B10 (0.43) MEN1KMT2ASLC6A4HPGDALDH1A1
SCHEMBL18679852 0.83 HTR2A (0.35) HTR2ASLC6A4KCNH2MAOAMAOB
SCHEMBL19363056 0.82 ABCB11 (0.31) HTR2ACYP1A2CYP3A4PPARA
SCHEMBL13258831 0.81 ESR1 (0.45) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL12770802 0.80 NPBWR1 (0.36) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL18684471 0.75 HTR2A (0.32) HTR2ASLC6A4KCNH2PTGDR2PPARG
SCHEMBL13374187 0.74 NPBWR1 (0.39) MEN1KMT2AALDH1A1MAPTHSD17B10

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-20170267823-A1 ANION EXCHANGE RESIN, ELECTROLYTE MEMBRANE FOR FUEL CELL, BINDER FOR FORMING ELECTRODE CATALYST LAYER, BATTERY ELECTRODE CATALYST LAYER AND FUEL CELL TAKAHATA PRECISION JAPAN CO., LTD. (JP) 2017-09-21 US disclosed