SCHEMBL14019113

SCHEMBL14019113

COc1ccc2cc(-c3ccc(-c4nc5ccccc5o4)cc3)ccc2c1-c1c(OC)ccc2cc(-c3ccc(-c4nc5ccccc5o4)cc3)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.64
▸ PTGS2 P35354 1/20 0.53
▸ PTPN2 P17706 4/20 0.49
▸ PTPN1 P18031 4/20 0.49
▸ PTPN5 P54829 4/20 0.49
▸ HPGD P15428 6/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ HSD17B10 Q99714 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ HSPD1 P10809 1/20 0.47

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
SCHEMBL14019111 0.95 NPC1 (0.71) NPC1PTGS2PTPN2PTPN1PTPN5
SCHEMBL24037825 0.81 NPC1 (0.51) NPC1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL14019144 0.81 NPC1 (0.62) NPC1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL17691907 0.80 NPC1 (0.56) NPC1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL19846119 0.80 NPC1 (0.63) NPC1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL24037815 0.80 PTPN2 (0.53) NPC1PTPN2PTPN1PTPN5HPGD
SCHEMBL24038098 0.79 NPC1 (0.49) NPC1PTPN2PTPN1PTPN5HPGD
SCHEMBL17691817 0.79 NPC1 (0.54) NPC1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL28436509 0.79 NPC1 (1.00) NPC1PTGS2PTPN2PTPN1PTPN5
SCHEMBL14981161 0.78 MAPT (0.59) HPGDKDM4EALDH1A1MAPTSMN1; SMN2

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-7442447-B2 Binaphthol based chromophores for the fabrication of blue organic light emitting diodes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-28 — — US disclosed
US-7442447-B2 Binaphthol based chromophores for the fabrication of blue organic light emitting diodes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-28 — — US disclosed
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