SCHEMBL7330946

SCHEMBL7330946

COc1ccccc1C(=O)CC(CC(=O)c1ccc(F)cc1)c1cccc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 2/20 0.50
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 3/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
PLA2G4A P47712 1/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.41
KCNA3 P22001 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL7333993 0.90 L3MBTL1 (0.51) L3MBTL1HTTPOLBNPSR1NPC1
SCHEMBL7332819 0.90 L3MBTL1 (0.50) L3MBTL1HTTPOLBNPSR1NPC1
SCHEMBL7336057 0.89 L3MBTL1 (0.51) L3MBTL1HTTPOLBNPSR1TDP1
SCHEMBL7330771 0.87 ATM (0.50) L3MBTL1HTTPOLBNPSR1SMN1; SMN2
SCHEMBL7329854 0.86 L3MBTL1 (0.62) L3MBTL1HTTPOLBNPSR1NPC1
SCHEMBL7332190 0.86 ATM (0.48) L3MBTL1HTTPOLBNPSR1NPC1
SCHEMBL7338009 0.85 KMT2A (0.50) L3MBTL1HTTPOLBNPSR1NPC1
SCHEMBL7330045 0.80 KMT2A (0.47) POLBKMT2AMRGPRX4ATM
SCHEMBL7336104 0.79 POLB (0.52) L3MBTL1HTTPOLBNPSR1SMN1; SMN2
SCHEMBL7335707 0.79 L3MBTL1 (0.50) L3MBTL1HTTPOLBNPSR1NPC1

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-5430047-A Neurotensin antagonists WARNER-LAMBERT COMPANY (US) 1995-07-04 US disclosed