SCHEMBL5041723

SCHEMBL5041723

COc1cccc([C@H](OC)C(=O)O)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.46
FABP5 Q01469 1/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KMT2A Q03164 1/20 0.42
KAT6A Q92794 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
LPAR1 Q92633 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL9163395 0.84 KMT2A (0.53) FABP4FABP5POLBHTTNPSR1
SCHEMBL9445850 0.84 KMT2A (0.53) FABP4FABP5POLBHTTNPSR1
SCHEMBL9445847 0.84 KMT2A (0.53) FABP4FABP5POLBHTTNPSR1
SCHEMBL2349656 0.83 CES2 (0.46) FABP4FABP5POLBL3MBTL1KMT2A
SCHEMBL8523806 0.78 POLB (0.43) POLBHTTNPSR1L3MBTL1CA12
SCHEMBL5040787 0.77 CA12 (0.44) FABP4FABP5HTTNPSR1CA12
SCHEMBL11556826 0.77 FABP4 (0.49) FABP4FABP5POLBHTTNPSR1
SCHEMBL17724548 0.76 ALDH1A1 (0.51) FABP4FABP5L3MBTL1KMT2AKDM4E
SCHEMBL5037418 0.76 ALDH1A1 (0.51) FABP4FABP5L3MBTL1KMT2AKDM4E
SCHEMBL31114370 0.76 POLB (0.44) POLBHTTNPSR1L3MBTL1CA12

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed