SCHEMBL10175310

SCHEMBL10175310

CCc1ccc(C2(c3ccc(OC)cc3-c3ccccc3)CCCCC2)c(-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
PTPN1 P18031 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
PPARG P37231 1/20 0.37
NPY5R Q15761 1/20 0.36
PIN1 Q13526 1/20 0.36
PDE7A Q13946 1/20 0.36
AR P10275 2/20 0.35
CTSK P43235 5/20 0.35
BACE1 P56817 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL10112737 0.90 PTPN1 (0.44) S1PR1S1PR3PTPN1NPY5RPIN1
SCHEMBL697437 0.68 ALOX5 (0.47) BACE1PDK2
SCHEMBL10175308 0.68 BACE1 (0.48) TDP1CTSKBACE1
SCHEMBL5551523 0.68 BACE1 (0.51) PTPN1PPARGPIN1BACE1
SCHEMBL5991474 0.68 HTR7 (0.49) TDP1
SCHEMBL11131649 0.66 ESR2 (0.41)
SCHEMBL14490512 0.66 METAP1 (0.49) TDP1PDE7A
SCHEMBL12441795 0.66 OPRM1 (0.42) SIGMAR1PDK2
SCHEMBL12325013 0.65 PTPN1 (0.57) PTPN1PIN1BACE1
SCHEMBL8459740 0.65 MAPT (0.57) BACE1PDK2

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