SCHEMBL7425626

SCHEMBL7425626

CC(C)CC(NCC(C(=O)O)c1ccc(-c2cccc(Cl)c2)o1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
S1PR4 O95977 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
APAF1 O14727 1/20 0.43
THRB P10828 1/20 0.43
GALK1 P51570 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
C3AR1 Q16581 1/20 0.43
SOS1 Q07889 1/20 0.43
HPGD P15428 2/20 0.40
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
MME P08473 1/20 0.39
SLC9A1 P19634 2/20 0.39

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
SCHEMBL7427316 0.91 SORT1 (0.46) MAPK1MAPTKDM4EKMT2AGRN
SCHEMBL7421514 0.88 ALDH1A1 (0.44) MAPK1MAPTKDM4EGAATDP1
SCHEMBL7416089 0.87 ALOX5 (0.44) GAASORT1MME
SCHEMBL7418844 0.83 SORT1 (0.41) MAPK1KDM4EKMT2AC3AR1GRN
SCHEMBL7427850 0.82 SORT1 (0.39) MAPK1C3AR1GRNSORT1ALDH1A1
SCHEMBL7420893 0.82 ALDH1A1 (0.41) MAPK1MAPTKDM4EGAAAPAF1
SCHEMBL7419841 0.79 KDM4E (0.44) MAPTKDM4EGAAHPGDALDH1A1
SCHEMBL7421684 0.79 S1PR4 (0.40) MAPK1S1PR4MAPTGAASORT1
SCHEMBL7424358 0.78 PSEN1 (0.49) GRNSORT1ALDH1A1
SCHEMBL5869847 0.78 SOS1 (0.50) MAPK1S1PR4MAPTC3AR1SOS1

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