SCHEMBL7739963

SCHEMBL7739963

CCOP(=O)(OCC)c1cc2cc(-c3cccc4ccccc34)c(Cl)cc2[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
GLA P06280 4/20 0.37
GAA P10253 4/20 0.37
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
TYMP P19971 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CSNK1D P48730 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
ATM Q13315 1/20 0.34
GCK P35557 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 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
SCHEMBL7740612 0.85 PRKAG1 (0.40) ALDH1A1HPGDMEN1KMT2AATM
SCHEMBL7741254 0.83 PTGES (0.37) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL7739842 0.83 PRKAG1 (0.42) ALDH1A1HPGDMEN1KMT2AGCK
SCHEMBL7739968 0.81 GRIN2D (0.34) MAPTMEN1KMT2ATYMPSMN1; SMN2
SCHEMBL7741117 0.80 PRKAG1 (0.37) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL7739643 0.79 GSK3B (0.37) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL7734964 0.77 ALDH1A1 (0.41) ALDH1A1GAAMAPTNPSR1HTT
SCHEMBL7742681 0.77 CDK5 (0.35) MAPTMEN1KMT2AGCKGRIN2D
SCHEMBL7741113 0.76 IDH1 (0.41) KDM4EALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL7740617 0.76 PTGES (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-6420386-B1 SPINAL TRAUMATISM, EPILEPSY, CHRONIC NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, SCHIZOPHRENIA, LATERAL AMYOTROPHIC SCLEROSIS OR HUNTINGTON'S CHOREA. LES LABORATORIES SERVIER (FR) 2002-07-16 US disclosed