SCHEMBL1075649

SCHEMBL1075649

CCCCCNc1ccc(Oc2cccc(C(=O)OC)c2)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
PLK1 P53350 3/20 0.47
PLK3 Q9H4B4 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
CDK2 P24941 2/20 0.45
PYGM P11217 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN11 Q06124 1/20 0.43
PLA2G4B P0C869 1/20 0.42
HCAR3 P49019 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL1465581 0.88 GAA (0.41) KDM4EPOLBGAAMAPTLMNA
SCHEMBL1074763 0.83
SCHEMBL1074899 0.83 NPC1 (0.48) AKR1C2AKR1C1KDM4EPOLBLMNA
SCHEMBL1467336 0.77 LMNA (0.44) LMNA
SCHEMBL22097618 0.77 PLK1 (0.55) PLK1KDM4EGAAMAPTHPGD
SCHEMBL24515570 0.75 KDM4E (0.62) KDM4EPOLBPYGMHPGDKMT2A
SCHEMBL1025243 0.75 HDAC3 (0.50) KDM4EPOLBPYGMGAAMAPT
SCHEMBL4566591 0.75 CNR2 (0.41) PLK1PLK3KDM4EGAAMAPT
SCHEMBL2436534 0.74 L3MBTL1 (0.65) POLBMEN1HPGDKMT2ASMN1; SMN2
SCHEMBL7150993 0.73 HTR7 (0.57) POLBMAPTHPGDSMN1; SMN2MGLL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 WO disclosed