SCHEMBL3801503

SCHEMBL3801503

C=CCc1sccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPRB P23467 1/20 0.40
PTPN6 P29350 1/20 0.40
POLB P06746 1/20 0.40
NR4A1 P22736 1/20 0.40
RECQL P46063 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
MAPK1 P28482 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
ABCC1 P33527 1/20 0.36

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
SCHEMBL14039776 0.83 KMT2A (0.41) KMT2AMEN1MAPTPTPN2PTPRB
SCHEMBL7119788 0.76 MEN1 (0.44) KMT2AMEN1MAPTPTPN2PTPRB
SCHEMBL11231978 0.76 MEN1 (0.41) KMT2AMEN1MAPTPTPN2PTPRB
SCHEMBL15533293 0.75 KDM4E (0.36) KMT2AMEN1TDP1ALDH1A1ALOX15
SCHEMBL2778669 0.75 MEN1 (0.43) KMT2AMEN1MAPTPTPN2PTPRB
SCHEMBL3810061 0.75 MEN1 (0.47) KMT2AMEN1MAPTPTPN2PTPRB
SCHEMBL11443114 0.73 MEN1 (0.42) KMT2AMEN1MAPTPTPN2PTPRB
SCHEMBL628655 0.72
SCHEMBL4773626 0.72 KMT2A (0.41) KMT2AMEN1MAPTPTPN2PTPRB
SCHEMBL11630922 0.72 MEN1 (0.41) KMT2AMEN1MAPTPTPN2PTPRB

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-1364948-B1 Biomimetic system of lipid membranes bonded to a substrate KNOLL WOLFGANG (AT) 2010-11-10 EP disclosed
EP-1364948-A2 Biomimetic system of lipid membranes bonded to a substrate Max Planck Society, Max Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-11-26 EP disclosed