SCHEMBL19860052

SCHEMBL19860052

C=Cc1ccc(COc2ccc(C3(c4ccc(OCc5ccc(COc6c(C)cc(Oc7c(C)cc(-c8cc(C)c(Oc9cc(C)c(OCc%10ccc(COc%11ccc(C%12(c%13ccc(OCc%14ccc(C=C)cc%14)cc%13)c%13ccccc%13-c%13ccccc%13%12)cc%11)cc%10)c(C)c9)c(C)c8C)c(C)c7C)cc6C)cc5)cc4)c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PDK2 Q15119 1/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
HIF1A Q16665 1/20 0.31
RAB9A P51151 2/20 0.30
LCK P06239 1/20 0.30
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
FFAR1 O14842 1/20 0.30
GLO1 Q04760 1/20 0.30

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
SCHEMBL19860051 0.94 MAPT (0.33) MAPTESR1ESR2PDK2MMP2
SCHEMBL19860053 0.91 MAPT (0.34) MAPTESR1ESR2PDK2MMP2
SCHEMBL19008218 0.90 LCK (0.33) MAPTESR1ESR2PDK2HIF1A
SCHEMBL19860050 0.88 PDK2 (0.33) MAPTESR1ESR2PDK2MMP2
SCHEMBL19008219 0.84 HIF1A (0.33) MAPTESR1ESR2PDK2HIF1A
SCHEMBL31326063 0.82 KDM4E (0.41) MAPTPDK2RAB9ALCKSMN1; SMN2
SCHEMBL19017222 0.81 NPC1 (0.46) MAPTRAB9ANPC1CASP3SMN1; SMN2
SCHEMBL19077748 0.80 MAPT (0.35) MAPTHIF1ASMN1; SMN2
SCHEMBL19017217 0.79 HPGD (0.43) RAB9ANPC1SMN1; SMN2FFAR1
SCHEMBL19017288 0.76 PPARA (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890246-B2 Fluorenylidene-diphenol-containing polyphenylene oxide ELITE ELECTRONIC MATERIAL (KUNSHAN) CO., LTD. (CN) 2018-02-13 US disclosed