SCHEMBL8046160

SCHEMBL8046160

N=C(COc1ccc(Cc2ccccc2)cc1)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.46
HSD11B1 P28845 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
FAAH O00519 2/20 0.39
ACHE P22303 2/20 0.39
LTA4H P09960 2/20 0.38

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
SCHEMBL8046154 0.75 L3MBTL1 (0.49) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL4404236 0.73 EPHX2 (0.52) EPHX2HSD11B1
SCHEMBL8046227 0.69 WDR5 (0.58) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL4109721 0.68 EPHX2 (0.64) EPHX2LTA4H
SCHEMBL8211657 0.68 LTA4H (0.60) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL11735761 0.68 LTA4H (0.50) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL13696728 0.67 LTA4H (0.51) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL19808478 0.66 EPHX2 (0.66) EPHX2HSD11B1L3MBTL1
SCHEMBL4784023 0.66 RAB9A (0.66) LMNACASP3SENP7SENP6
SCHEMBL12875947 0.65 SMN1; SMN2 (0.67) EPHX2HSD11B1

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