SCHEMBL6428172

SCHEMBL6428172

O=C1CCCC(=O)N1C(=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
ALDH1A1 P00352 6/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 1/20 0.49
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
PKM P14618 2/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HSD11B1 P28845 1/20 0.45
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
PARP1 P09874 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
SCHEMBL6439273 0.79 LMNA (0.58) ALDH1A1HPGDGLAKDM4EPOLB
SCHEMBL30777218 0.76 BCHE (0.54) BCHEACHEALDH1A1HPGDGLA
SCHEMBL6535800 0.75 ALDH1A1 (0.64) ALDH1A1PKMKDM4EPOLBL3MBTL1
SCHEMBL8526862 0.75 P2RX4 (0.55) ALDH1A1L3MBTL1KMT2AMAPK1
SCHEMBL5918694 0.75 KMT2A (0.62) ALDH1A1PKMKDM4EPOLBL3MBTL1
SCHEMBL11714079 0.74 KMT2A (0.57) BCHEACHEALDH1A1CASP3CASP7
SCHEMBL8504553 0.73 ALDH1A1 (0.42) ALDH1A1HPGDPKMCES2CES1
SCHEMBL874261 0.72 NPC1 (0.68) ALDH1A1HPGDKDM4EPOLBL3MBTL1
SCHEMBL11576464 0.72 NPC1 (0.51) BCHEACHEALDH1A1HPGDL3MBTL1
SCHEMBL643368 0.71 PKM (0.70) ALDH1A1HPGDPKMKDM4EPOLB

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-0906088-B1 LIPOSOMAL ANTINEOPLASTON THERAPIES WITH MARKEDLY IMPROVED ANTINEOPLASTIC ACTIVITY BURZYNSKI STANISLAW R (US) 2005-11-23 EP disclosed