SCHEMBL4101870

SCHEMBL4101870

CCCCCCCCCCCCCCCc1ccccc1Oc1cccc(C#N)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
PPARA Q07869 2/20 0.41
LIPG Q9Y5X9 1/20 0.40
PPARG P37231 1/20 0.40
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
BID P55957 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
BAK1 Q16611 1/20 0.35

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
SCHEMBL20510911 1.00 AR (0.44) ARTHRATHRBALOX5PTGS2
SCHEMBL27903024 0.83 LIPG (0.45) ALOX5PTGS2PPARALIPGPPARG
SCHEMBL28984289 0.83 LIPG (0.45) ALOX5PTGS2PPARALIPGPPARG
SCHEMBL6519905 0.83 LIPG (0.45) ALOX5PTGS2PPARALIPGPPARG
SCHEMBL4101867 0.82 MAPT (0.36) ALOX5PTGS2PPARAPPARGKDM4E
SCHEMBL8958884 0.81 LIPG (0.42) ALOX5PTGS2PPARALIPGPPARG
SCHEMBL941553 0.81 THRA (0.58) THRATHRBALOX5PTGS2PPARA
SCHEMBL8444310 0.81 THRA (0.58) THRATHRBALOX5PTGS2PPARA
SCHEMBL145217 0.81 THRA (0.58) THRATHRBALOX5PTGS2PPARA
SCHEMBL9505410 0.81 THRA (0.58) THRATHRBALOX5PTGS2PPARA

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-8809523-B2 Method of making nanosized particles of phthalocyanine pigments XEROX CORPORATION (US) 2014-08-19 US disclosed
US-20090227785-A1 METHOD OF MAKING NANOSIZED PARTICLES OF PHTHALOCYANINE PIGMENTS XEROX CORPORATION (US) 2009-09-10 US disclosed