SCHEMBL8936172

SCHEMBL8936172

CCOP(=O)(CCc1cc(=O)[nH]c2cc(Cl)ccc12)OCC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 2/20 0.40
ALOX15 P16050 4/20 0.39
CA9 Q16790 1/20 0.38
PARP1 P09874 1/20 0.38
MAT2A P31153 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL8936103 0.81 TP53 (0.51) SMN1; SMN2TP53LMNACA9PARP1
SCHEMBL6254703 0.75 KMT2A (0.46) SMN1; SMN2TP53LMNAALOX15CA9
SCHEMBL8936145 0.74 TP53 (0.57) SMN1; SMN2TP53LMNACA9PARP1
SCHEMBL8936088 0.72 CA12 (0.36) ALOX15CA9GRIN2DGRIN3BGRIN1
SCHEMBL8936072 0.72 SMN1; SMN2 (0.38) SMN1; SMN2ALOX15
SCHEMBL8936216 0.72 POLB (0.44) SMN1; SMN2LMNA
SCHEMBL8936133 0.72 TP53 (0.54) SMN1; SMN2TP53LMNACA9PARP1
SCHEMBL8936102 0.72 GRIN2D (0.36) SMN1; SMN2TP53LMNACA9GRIN2D
SCHEMBL10912425 0.68 TAAR1 (0.44)
SCHEMBL2797754 0.67 TP53 (1.00) SMN1; SMN2TP53LMNACA9PARP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510338-A ADMINISTERING TO A MAMMAL TO RELIEVE PAIN AND TO TREAT CONVULSIONS, CEREBRAL ISCHEMIC DAMAGE, AND EMESIS GUILFORD PHARMACEUTICALS INC. (US) 1996-04-23 US disclosed
US-5342946-A Phosphonoalkylquinolin-2-ones as novel antagonists of non-NMDA ionotropic excitatory amino acid receptors GUILFORD PHARMACEUTICALS INC. (US) 1994-08-30 US disclosed