SCHEMBL7336104

SCHEMBL7336104

COc1ccc(OC)c(C(=O)CC(CC(=O)c2ccc(Cl)cc2)c2cccc(C(=O)O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.45
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD11B1 P28845 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
PPARG P37231 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 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
SCHEMBL7335707 0.92 L3MBTL1 (0.50) POLBL3MBTL1MRGPRX4MAPTHTT
SCHEMBL7332819 0.90 L3MBTL1 (0.50) POLBL3MBTL1ALDH1A1MRGPRX4MAPT
SCHEMBL7328371 0.90 L3MBTL1 (0.62) POLBL3MBTL1ALDH1A1MRGPRX4KMT2A
SCHEMBL7333993 0.89 L3MBTL1 (0.51) POLBL3MBTL1MRGPRX4MAPTKMT2A
SCHEMBL7330976 0.87 L3MBTL1 (0.53) L3MBTL1ALDH1A1MRGPRX4MAPTKMT2A
SCHEMBL13225823 0.86 MRGPRX4 (0.53) POLBL3MBTL1ALDH1A1MRGPRX4MAPT
SCHEMBL7330744 0.84 L3MBTL1 (0.50) POLBL3MBTL1MRGPRX4KMT2AHTT
SCHEMBL7337342 0.82 KMT2A (0.52) POLBL3MBTL1MRGPRX4MAPTKMT2A
SCHEMBL7328500 0.81 POLB (0.56) POLBL3MBTL1KMT2AMEN1ATM
SCHEMBL7330946 0.79 L3MBTL1 (0.52) POLBL3MBTL1ALDH1A1MRGPRX4KMT2A

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