SCHEMBL4621079

SCHEMBL4621079

NC(=O)[C@H](CCC(=O)O)N(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.41
ALOX5 P09917 3/20 0.41
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPOR P19235 1/20 0.37
FFAR1 O14842 1/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 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
SCHEMBL4369577 0.90 SLC9A1 (0.43) SLC9A1ALDH1A1HPGDLMNAMEN1
SCHEMBL27826145 0.80 TRPM8 (0.46) MEN1KMT2AEPORKDM4E
SCHEMBL5652973 0.78 PPARD (0.49) ALDH1A1MAPTPOLB
SCHEMBL5650478 0.78 TRPM8 (0.50) MEN1KMT2AMMP2MMP8MMP12
SCHEMBL2246642 0.77 MMP12 (0.41) ALDH1A1MAPTHPGDALOX5LMNA
SCHEMBL4369489 0.76 PTGES (0.45) ALDH1A1MAPTHPGDALOX5LMNA
SCHEMBL5652505 0.75 KMT2A (0.40) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL5653525 0.75 SRD5A2 (0.44) ALOX5MEN1KMT2AFFAR1MMP12
SCHEMBL5651671 0.75 OXTR (0.46)
SCHEMBL4359337 0.74 MMP12 (0.39) ALDH1A1MAPTHPGDALOX5LMNA

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-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO disclosed