SCHEMBL13242014

SCHEMBL13242014

COc1ccc(C(=CN(c2ccc(-c3ccc(N(C=C(c4ccc(OC)cc4)c4ccc(OC)cc4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HSD17B2 P37059 6/20 0.41
HSD17B1 P14061 5/20 0.41
RELA Q04206 2/20 0.41
TP53 P04637 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
KCNK3 O14649 1/20 0.39
ACHE P22303 1/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.37
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37

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
SCHEMBL13242005 0.85 HSD17B1 (0.43) NPC1RAB9AHSD17B2HSD17B1SMN1; SMN2
SCHEMBL13242007 0.82 CES2 (0.45) RELANFKB1NFKB2HPGDKDM4E
SCHEMBL9777053 0.82 MAPT (0.53) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL17735852 0.81 TSHR (0.44) NPC1RAB9ALMNAHPGDKDM4E
SCHEMBL21188357 0.80 KDM4E (0.53) NPC1RAB9ASMN1; SMN2ACHEHPGD
SCHEMBL21188353 0.79 KDM4E (0.49) NPC1RAB9AHSD17B2HSD17B1SMN1; SMN2
SCHEMBL13580064 0.79 KDM4E (0.47) NPC1RAB9ARELANFKB1NFKB2
SCHEMBL13580063 0.77 CYP3A4 (0.43) NPC1RAB9AHSD17B2HSD17B1SMN1; SMN2
SCHEMBL14570731 0.76 ACHE (0.48) NPC1RAB9ARELATP53NFKB1
SCHEMBL13152209 0.76 ACHE (0.48) NPC1RAB9ARELATP53NFKB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481238-B2 Electrophotographic photoreceptors, electrophotographic photoreceptor cartridge, and image-forming apparatus MITSUBISHI CHEMICAL CORPORATION (JP) 2013-07-09 US disclosed
US-8481238-B2 Electrophotographic photoreceptors, electrophotographic photoreceptor cartridge, and image-forming apparatus MITSUBISHI CHEMICAL CORPORATION (JP) 2013-07-09 US disclosed
US-20100183332-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTORS, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE-FORMING APPARATUS MITSUBISHI CHEMICAL CORPORATION (JP) 2010-07-22 US disclosed
US-20100183332-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTORS, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, AND IMAGE-FORMING APPARATUS MITSUBISHI CHEMICAL CORPORATION (JP) 2010-07-22 US disclosed