SCHEMBL7330976

SCHEMBL7330976

COc1cccc(C(=O)CC(CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
NR4A2 P43354 2/20 0.48
KMT2A Q03164 2/20 0.47
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
DRD4 P21917 3/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
DRD2 P14416 1/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD11B1 P28845 1/20 0.44
CBX7 O95931 1/20 0.43

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
SCHEMBL7328371 0.93 L3MBTL1 (0.62) L3MBTL1NR4A2KMT2AKCNH2MRGPRX4
SCHEMBL7337342 0.88 KMT2A (0.52) L3MBTL1NR4A2KMT2AMRGPRX4MEN1
SCHEMBL13225823 0.88 MRGPRX4 (0.53) L3MBTL1MRGPRX4NPC1ALDH1A1MAPT
SCHEMBL7336104 0.87 POLB (0.52) L3MBTL1KMT2AMRGPRX4MEN1HSD11B1
SCHEMBL7335707 0.87 L3MBTL1 (0.50) L3MBTL1MRGPRX4TDP1NPC1MAPT
SCHEMBL7330744 0.85 L3MBTL1 (0.50) L3MBTL1KMT2AMRGPRX4MEN1NPC1
SCHEMBL7328500 0.84 POLB (0.56) L3MBTL1KMT2AMEN1NPC1RAB9A
SCHEMBL7333993 0.84 L3MBTL1 (0.51) L3MBTL1KMT2AMRGPRX4MEN1NPC1
SCHEMBL7330045 0.82 KMT2A (0.47) NR4A2KMT2AMRGPRX4MEN1
SCHEMBL7329854 0.81 L3MBTL1 (0.62) L3MBTL1NR4A2KMT2AMRGPRX4MEN1

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