SCHEMBL16601729

SCHEMBL16601729

CCC1=C/C(=C2/C=C(CC)C(=O)C(c3ccc(O)cc3)=C2)C=C(c2ccc(O)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.47
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
PTPN1 P18031 1/20 0.44
SENP1 Q9P0U3 1/20 0.37
ESR1 P03372 9/20 0.37
ESR2 Q92731 7/20 0.37
EGFR P00533 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B3 P37058 1/20 0.34
PDPK1 O15530 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL16602000 0.69 MMP3 (0.60) BACE1MGAMGAASIMGAM2
SCHEMBL16601732 0.69 BACE1 (0.47) BACE1MGAMGAASIMGAM2
SCHEMBL9453987 0.68 BACE1 (0.64) BACE1PTPN1HSD17B3
SCHEMBL17715428 0.66 BACE1 (0.64) BACE1MGAMGAASIMGAM2
SCHEMBL23271927 0.66 ESR1 (0.52) GAAESR1ESR2MAPT
SCHEMBL30004225 0.66 ESR1 (0.52) GAAESR1ESR2MAPT
SCHEMBL16601791 0.64 BACE1 (0.50) BACE1MGAMGAASIMGAM2
SCHEMBL31423340 0.64 BACE1 (1.00) BACE1MGAMGAASIMGAM2
SCHEMBL312389 0.64 BACE1 (1.00) BACE1MGAMGAASIMGAM2
SCHEMBL29504872 0.64 SENP1 (0.52) BACE1MGAMGAASIMGAM2

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-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed