SCHEMBL13030516

SCHEMBL13030516

Cc1ccc(N(c2ccc(Oc3ccc(N(c4ccc(C)cc4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.57
HSD17B2 P37059 2/20 0.57
TDP1 Q9NUW8 3/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.47
TEAD4 Q15561 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2B P41595 1/20 0.39
CYP51A1 Q16850 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ACHE P22303 2/20 0.38

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
SCHEMBL8943708 0.96 HSD17B1 (0.53) HSD17B1HSD17B2TDP1HTTL3MBTL1
SCHEMBL10042875 0.94 HSD17B1 (0.56) HSD17B1HSD17B2TDP1HTTL3MBTL1
SCHEMBL8943824 0.93 HSD17B1 (0.50) HSD17B1HSD17B2TDP1HTTL3MBTL1
SCHEMBL8944074 0.90 ACHE (0.48) HSD17B1HSD17B2TDP1HTTL3MBTL1
SCHEMBL10066016 0.89 ACHE (0.48) HSD17B1HSD17B2TDP1HTTL3MBTL1
SCHEMBL16158477 0.89 ACHE (0.48) HSD17B1HSD17B2TDP1HTTL3MBTL1
SCHEMBL3441917 0.89 ACHE (0.48) HSD17B1HSD17B2TDP1HTTL3MBTL1
SCHEMBL19075300 0.89 ACHE (0.48) HSD17B1HSD17B2TDP1HTTL3MBTL1
SCHEMBL403133 0.89 ACHE (0.48) HSD17B1HSD17B2TDP1HTTL3MBTL1
SCHEMBL8943710 0.87 ACHE (0.55) HSD17B1HSD17B2TDP1HTTL3MBTL1

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-20100290808-A1 Electrophotographic Photoreceptor and Image Formation Apparatus KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2010-11-18 US disclosed
US-20100290808-A1 Electrophotographic Photoreceptor and Image Formation Apparatus KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2010-11-18 US disclosed