SCHEMBL6240234

SCHEMBL6240234

O=C(O)Oc1ccc2oc3ccccc3c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
MAPT P10636 6/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PTGER4 P35408 1/20 0.52
MAOA P21397 1/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
ACSL1 P33121 3/20 0.49
ACSL6 Q9UKU0 3/20 0.49
RXFP1 Q9HBX9 3/20 0.49
NPSR1 Q6W5P4 3/20 0.48
KMT2A Q03164 2/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL8430903 0.91 LMNA (0.53) LMNAMAPTNPC1RAB9APOLB
SCHEMBL9413588 0.89 NPC1 (0.68) LMNAMAPTNPC1RAB9APOLB
SCHEMBL20322895 0.89 LMNA (0.60) LMNAMAPTNPC1RAB9APOLB
SCHEMBL6828889 0.83 LMNA (0.60) LMNAMAPTNPC1RAB9APTGER4
SCHEMBL9131367 0.81 LMNA (0.56) LMNAMAPTNPC1PTGER4MAOA
SCHEMBL20322862 0.80 LMNA (1.00) LMNAMAPTNPC1RAB9APOLB
SCHEMBL14541242 0.79 CA12 (0.58) LMNAMAPTNPC1RAB9APOLB
SCHEMBL25524814 0.78 MAOA (0.68) MAPTNPC1RAB9APOLBL3MBTL1
SCHEMBL2343267 0.78 MAPT (0.47) LMNAMAPTNPC1RAB9APOLB
SCHEMBL17902702 0.78 MAPT (0.59) LMNAMAPTNPC1RAB9APOLB

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-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP claimed