SCHEMBL7333993

SCHEMBL7333993

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
POLB P06746 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 2/20 0.49
LMNA P02545 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLA2G4A P47712 2/20 0.42
LTB4R Q15722 1/20 0.42
ATM Q13315 1/20 0.42
PDPK1 O15530 1/20 0.41
GRM5 P41594 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7330946 0.90 L3MBTL1 (0.52) L3MBTL1POLBNPSR1HTTNPC1
SCHEMBL7330744 0.89 L3MBTL1 (0.50) L3MBTL1POLBNPSR1HTTNPC1
SCHEMBL7335707 0.89 L3MBTL1 (0.50) L3MBTL1POLBNPSR1HTTNPC1
SCHEMBL7336104 0.89 POLB (0.52) L3MBTL1POLBNPSR1HTTLMNA
SCHEMBL13225823 0.87 MRGPRX4 (0.53) L3MBTL1POLBNPSR1HTTNPC1
SCHEMBL7328371 0.85 L3MBTL1 (0.62) L3MBTL1POLBNPSR1HTTNPC1
SCHEMBL7337342 0.85 KMT2A (0.52) L3MBTL1POLBMRGPRX4MEN1KMT2A
SCHEMBL7328500 0.84 POLB (0.56) L3MBTL1POLBNPC1MEN1KMT2A
SCHEMBL7330976 0.84 L3MBTL1 (0.53) L3MBTL1NPC1MRGPRX4MEN1KMT2A
SCHEMBL7330045 0.82 KMT2A (0.47) POLBMRGPRX4MEN1KMT2AATM

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