SCHEMBL7330744

SCHEMBL7330744

COc1cccc(OC)c1C(=O)CC(CC(=O)c1ccc(Cl)cc1)c1cccc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
POLB P06746 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 1/20 0.50
MRGPRX4 Q96LA9 2/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
PLA2G4A P47712 2/20 0.41
LTB4R Q15722 1/20 0.41
TTR P02766 1/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
PDPK1 O15530 1/20 0.40
USP2 O75604 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
SCHEMBL7336057 0.90 L3MBTL1 (0.51) L3MBTL1POLBNPSR1HTTMRGPRX4
SCHEMBL7333993 0.89 L3MBTL1 (0.51) L3MBTL1POLBNPSR1HTTMRGPRX4
SCHEMBL13225823 0.89 MRGPRX4 (0.53) L3MBTL1POLBNPSR1HTTMRGPRX4
SCHEMBL7328371 0.87 L3MBTL1 (0.62) L3MBTL1POLBNPSR1HTTMRGPRX4
SCHEMBL7337342 0.87 KMT2A (0.52) L3MBTL1POLBMRGPRX4MEN1KMT2A
SCHEMBL7330976 0.85 L3MBTL1 (0.53) L3MBTL1MRGPRX4MEN1KMT2ANPC1
SCHEMBL7335707 0.84 L3MBTL1 (0.50) L3MBTL1POLBNPSR1HTTMRGPRX4
SCHEMBL7336104 0.84 POLB (0.52) L3MBTL1POLBNPSR1HTTMRGPRX4
SCHEMBL7330045 0.83 KMT2A (0.47) POLBMRGPRX4MEN1KMT2AATM
SCHEMBL7328500 0.83 POLB (0.56) L3MBTL1POLBMEN1KMT2AATM

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