SCHEMBL28066786

SCHEMBL28066786

CCOP(=O)(Cc1ccc(-c2ccccc2)cc1)OCC.CCO[PH](=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.43
CCNT1 O60563 3/20 0.39
CDK9 P50750 3/20 0.39
HDAC1 Q13547 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KCNH2 Q12809 1/20 0.36
EED O75530 1/20 0.35
POLB P06746 1/20 0.35
ACHE P22303 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1I2 O75469 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PTK2 Q05397 1/20 0.34

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
SCHEMBL3109529 0.89 NPY5R (0.49) NPY5RCCNT1CDK9HDAC1NPSR1
SCHEMBL28066834 0.85 POLB (0.39) NPY5RCCNT1CDK9HDAC1POLB
SCHEMBL2493713 0.83 TSHR (0.44) NPY5RCCNT1CDK9HDAC1NPSR1
SCHEMBL366215 0.79 NPY5R (0.50) NPY5RCCNT1CDK9NPSR1KCNH2
SCHEMBL28066775 0.78 ENPP2 (0.52) ACHE
SCHEMBL914767 0.78 NPY5R (0.49) NPY5RCCNT1CDK9NPSR1KCNH2
SCHEMBL916329 0.78 NPY5R (0.49) NPY5RCCNT1CDK9NPSR1KCNH2
Hydrogen Peroxide SCHEMBL8609887 0.78 NPY5R (0.49) NPY5RNPSR1KCNH2POLBACHE
SCHEMBL3375825 0.78 TSHR (0.50) NPY5RCCNT1CDK9HDAC1NPSR1
SCHEMBL11548665 0.77 RAB9A (0.56) NPY5RPOLBMAPT

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
CN-102511089-B Novel organic semi-conductor material and use its electronic device RICOH CO.,LTD. (JP) 2016-06-01 CN disclosed