SCHEMBL8504286

SCHEMBL8504286

O=C(NC1(C(=O)O)CCCCC1)c1ccc(O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.49
TOP1 P11387 3/20 0.46
GPR132 Q9UNW8 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
PTGS2 P35354 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LPAR1 Q92633 2/20 0.44
TERT O14746 1/20 0.44
TSHR P16473 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
SCHEMBL1838741 0.79 PYGL (0.50) GPR132LPAR1ERAP1CTSKCTSL
SCHEMBL1836676 0.79 CTSK (0.61) GPR132CTSKCTSLCTSSCTSB
SCHEMBL1837320 0.78 CNR2 (0.49) KDM4ELPAR1ERAP1CTSKCTSL
SCHEMBL1837613 0.77 TSHR (0.59) MAPTKDM4EL3MBTL1TSHR
SCHEMBL1842072 0.77 TSHR (0.69) MAPTKDM4EPTGS2TSHR
SCHEMBL1813782 0.77 CTSL (0.64) ERAP1CTSKCTSLCTSSCTSB
SCHEMBL1839626 0.77 GPR132 (0.47) HDAC6GPR132LPAR1TSHRERAP1
SCHEMBL5105059 0.76 FABP4 (0.51) MAPTKDM4ETSHRERAP1CTSK
SCHEMBL5599694 0.75 DHODH (0.47) GPR132LPAR1CTSLCTSSCTSB
SCHEMBL1837480 0.75 MAOA (0.49) HDAC6MAPT

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-1008592-B1 Cyclic amide derivatives which inhibit cathepsin K SEIKAGAKU KOGYO CO LTD (JP) 2006-02-01 EP disclosed