SCHEMBL7428501

SCHEMBL7428501

CC(C)CC(NCC(C(=O)O)c1ccc(NC(=O)C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
FPR2 P25090 3/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.40
LCK P06239 1/20 0.40
CTSL P07711 1/20 0.40
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
CTSS P25774 1/20 0.40
PTPN13 Q12923 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
FOLH1 Q04609 1/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL7417901 0.80 FOLH1 (0.57) FPR2ALDH1A1LMNAMAPTCTSS
SCHEMBL7378949 0.80 MME (0.50) ALDH1A1LMNACTSSFOLH1
SCHEMBL7423166 0.80 NPSR1 (0.49) FPR2LMNAMAPTPTPN1RAB9A
SCHEMBL7425540 0.80 DGAT1 (0.47) ALDH1A1LMNAPTPN1NPC1HTT
SCHEMBL7427045 0.78 GRIA2 (0.52) FPR2ALDH1A1LMNAMAPTCTSL
SCHEMBL7426474 0.78 GRIA2 (0.52) FPR2ALDH1A1LMNAMAPTCTSL
SCHEMBL7424801 0.77 CTSS (0.46) ALDH1A1CTSLCTSSFOLH1SMN1; SMN2
SCHEMBL7425607 0.76 CTSL (0.48) CTSLCTSSFOLH1
SCHEMBL7418370 0.76 PSEN1 (0.60) CTSLCTSS
SCHEMBL8258429 0.75 FOLH1 (0.49) L3MBTL1FPR2ALDH1A1LMNAMAPT

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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed