SCHEMBL4623715

SCHEMBL4623715

NC(=O)CC[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 8/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACE P12821 1/20 0.51
HDAC8 Q9BY41 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
SMPD1 P17405 1/20 0.46
HPGDS O60760 2/20 0.45
CTSK P43235 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
FFAR1 O14842 1/20 0.44
CMKLR2 P46091 1/20 0.44
CMKLR1 Q99788 1/20 0.44

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
SCHEMBL7046023 0.88 ACE (0.60) SMN1; SMN2ACEMRGPRX4CTSK
SCHEMBL2247559 0.87 ALDH1A1 (0.58) GPR132ALDH1A1LMNASMN1; SMN2HDAC8
SCHEMBL4623549 0.86 ALDH1A1 (0.53) GPR132ALDH1A1LMNASMN1; SMN2HDAC8
SCHEMBL7709356 0.83 ACE (0.50) SMN1; SMN2ACEMRGPRX4HPGDS
SCHEMBL2247402 0.82 ALDH1A1 (0.51) GPR132ALDH1A1LMNASMN1; SMN2HDAC8
SCHEMBL5652507 0.80 ACE (0.52) ALDH1A1LMNASMN1; SMN2ACEMRGPRX4
SCHEMBL4621148 0.80 MAPT (0.55) ALDH1A1LMNASMN1; SMN2ACEHPGDS
SCHEMBL2247555 0.80 HPGDS (0.65) GPR132ALDH1A1LMNASMN1; SMN2HDAC8
SCHEMBL2246727 0.78 HPGDS (0.51) ACEMRGPRX4HPGDSCTSK
SCHEMBL29682481 0.78 MME (0.56) SMN1; SMN2CTSK

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 claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO claimed