SCHEMBL6511864

SCHEMBL6511864

O=C(O)CCN(Cc1cccc(Cc2ccccc2)c1)Cc1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
POLB P06746 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.43
PPARA Q07869 1/20 0.41
LDHA P00338 1/20 0.41
LDHB P07195 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RECQL P46063 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL6511657 0.86 HDAC3 (0.50) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL6511861 0.85 CA12 (0.45) CA12CA1CA2CA4POLB
SCHEMBL6510728 0.81 HDAC1 (0.44) MEN1KMT2AMAPTLDHALDHB
SCHEMBL6510830 0.81 POLB (0.45) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL6511947 0.81 MTNR1A (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6519103 0.80 KMT2A (0.50) MEN1KMT2AMAPTHDAC1
SCHEMBL6510153 0.80 PKM (0.47) MEN1KMT2APKML3MBTL1HDAC1
SCHEMBL6512357 0.80 TAS2R14 (0.43) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL6512519 0.79 POLB (0.50) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL6531193 0.78 LTA4H (0.46) HDAC1

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
WO-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed