SCHEMBL14700481

SCHEMBL14700481

COc1ccc(C(C)(c2ccc(OC(C)=O)cc2)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.58
HSD17B10 Q99714 1/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
ELANE P08246 1/20 0.49
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
MMP16 P51512 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL12433918 0.92 ELANE (0.53) BACE1GAALMNAMAPTTDP1
SCHEMBL14378747 0.92 BACE1 (0.51) BACE1HSD17B10GAALMNAMAPT
SCHEMBL18219805 0.89 LMNA (0.52) BACE1HSD17B10GAALMNAMAPT
SCHEMBL14344920 0.88 ALDH1A1 (0.47) BACE1HSD17B10GAALMNAMAPT
SCHEMBL13779223 0.86 BACE1 (0.46) BACE1HSD17B10GAALMNAMAPT
SCHEMBL1507827 0.86 ELANE (0.59) HSD17B10GAALMNAMAPTTDP1
SCHEMBL12960520 0.85 ELANE (0.45) BACE1GAALMNAMAPTTDP1
SCHEMBL16488964 0.84 HSD17B10 (0.53) BACE1HSD17B10GAALMNAMAPT
SCHEMBL14580025 0.83 CYP1A2 (0.49) BACE1GAALMNAMAPTTDP1
SCHEMBL14378612 0.82 ALDH1A1 (0.43) BACE1HSD17B10GAALMNAMAPT

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-20130040234-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, MANUFACTURING METHOD THEREFOR AND ELECTROPHOTOGRAPHIC DEVICE FUJI ELECTRIC CO., LTD. (JP) 2013-02-14 US disclosed