SCHEMBL8046153

SCHEMBL8046153

NC(COc1ccc(Cc2ccccc2)cc1)=NO

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
SLC22A2 O15244 1/20 0.46
PLA2G10 O15496 1/20 0.43
PLA2G2A P14555 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL8046150 1.00 LTA4H (0.53) LTA4HL3MBTL1LMNAMAPK1CASP3
SCHEMBL1581041 0.86 GAA (0.53) L3MBTL1GAAPARP10
SCHEMBL1581040 0.86 GAA (0.53) L3MBTL1GAAPARP10
Hydrochloric Acid SCHEMBL836698 0.84 GAA (0.51) L3MBTL1GAAPARP10
SCHEMBL8046227 0.79 WDR5 (0.58) LTA4HL3MBTL1LMNAMAPK1CASP3
SCHEMBL17730475 0.77 SLC22A2 (0.53) LMNASLC22A2PLA2G10PLA2G2ACYP2C9
SCHEMBL5004504 0.75 ALOX15 (0.70) LTA4HL3MBTL1LMNAMAPK1CASP3
SCHEMBL1008238 0.75 SMN1; SMN2 (0.51) L3MBTL1CYP1A2GAA
SCHEMBL1008237 0.75 SMN1; SMN2 (0.51) L3MBTL1CYP1A2GAA
SCHEMBL19666875 0.75 MAOB (0.50) LMNAGAAPARP10

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-6110944-A AN ANTIINFLAMMATORY AGENT TREATING INFLAMMATORY BOWEL DISEASE G. D. SEARLE & CO. (US) 2000-08-29 US disclosed