SCHEMBL4101867

SCHEMBL4101867

CCCCCCCCCCc1c(CCCCCCCCCC)c(CCCCCCCCCC)c(Oc2cccc(C#N)c2C#N)c(CCCCCCCCCC)c1CCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC2A1 P11166 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 5/20 0.34
PTGS2 P35354 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 2/20 0.33
PPARA Q07869 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
PPARG P37231 1/20 0.32

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 0.82 AR (0.44) KDM4ESMN1; SMN2ALOX5PTGS2PPARA
SCHEMBL4101870 0.82 AR (0.44) KDM4ESMN1; SMN2ALOX5PTGS2PPARA
SCHEMBL4137348 0.81 TSHR (0.46) KDM4ESMN1; SMN2TSHRHSD17B10HPGD
SCHEMBL2695335 0.81 TSHR (0.46) KDM4ESMN1; SMN2TSHRHSD17B10HPGD
SCHEMBL30360748 0.79 PPARA (0.46) PPARAPPARG
SCHEMBL28984278 0.79 PPARA (0.46) PPARAPPARG
SCHEMBL2696168 0.79 PPARA (0.46) PPARAPPARG
SCHEMBL11566544 0.76 ALDH1A1 (0.49) MAPTHPGDALDH1A1
SCHEMBL27937397 0.75 TSHR (0.47) KDM4ESMN1; SMN2TSHRALDH1A1POLB
SCHEMBL7267959 0.74 CYP1A2 (0.46) MAPTKDM4ESMN1; SMN2HPGDALDH1A1

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