SCHEMBL10175308

SCHEMBL10175308

CCc1ccc(C2(c3ccc(OC)cc3)CCCCCCCCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.48
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
CTSK P43235 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
TSHR P16473 1/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL25986515 0.88 SLC6A4 (0.58) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL10112726 0.88 SLC6A4 (0.58) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL19268518 0.88 SLC6A4 (0.58) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL10086337 0.88 SLC6A4 (0.58) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL10112733 0.88 SLC6A4 (0.58) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL10112736 0.88 SLC6A4 (0.58) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL12808406 0.86 BACE1 (0.57) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL15981141 0.85 BACE1 (0.47) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL13658169 0.84 BACE1 (0.46) BACE1SLC6A4SLC6A3GRIN1GRIN2A
SCHEMBL22382222 0.81 BACE1 (0.49) BACE1SLC6A4SLC6A3GRIN1GRIN2A

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
EP-2424018-A1 Polyarylene block copolymer having sulfonic acid group and use thereof JSR Corporation (JP) 2012-02-29 EP disclosed