SCHEMBL7109215

SCHEMBL7109215

CCOC(=O)C(CC)(C(=O)O)C(CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NPSR1 Q6W5P4 3/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.43
ATM Q13315 1/20 0.40
PIN1 Q13526 1/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
MMP8 P22894 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL578529 0.79 ALDH1A1 (0.56) NPC1PIN1TSHRALDH1A1LMNA
SCHEMBL5916381 0.74 LMNA (0.44) KMT2AMEN1POLBL3MBTL1ATM
SCHEMBL7109704 0.72 KMT2A (0.50) NPC1KMT2AMEN1NPSR1POLB
SCHEMBL6250715 0.72 KMT2A (0.69) NPC1KMT2AMEN1NPSR1POLB
SCHEMBL658601 0.72 PDPK1 (0.41) KMT2AMEN1POLBL3MBTL1MAPT
SCHEMBL12767662 0.71 KMT2A (0.53) NPC1KMT2AMEN1NPSR1POLB
SCHEMBL8111908 0.71 CASP1 (0.48) KMT2AMEN1PIN1TSHRALDH1A1
SCHEMBL7109210 0.71 KMT2A (0.67) NPC1KMT2AMEN1NPSR1POLB
SCHEMBL27774182 0.70 MMP8 (0.44) KMT2ANPSR1POLBPIN1TSHR
SCHEMBL16616993 0.70 KMT2A (0.60) NPC1KMT2AMEN1NPSR1POLB

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
EP-1352687-A1 Preparation of new layered double hydroxides exchanged with diisopropylamide for c-c bond forming reaction Council of Scientific and Industrial Research (IN) 2003-10-15 EP disclosed