SCHEMBL7426574

SCHEMBL7426574

COc1cccc(C(=O)NC(CNC(CC(C)C)C(=O)O)C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.59
CTSS P25774 4/20 0.59
CTSK P43235 4/20 0.59
GPR139 Q6DWJ6 6/20 0.55
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
GRN P28799 1/20 0.50
SORT1 Q99523 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL24283563 0.92 CTSL (0.64) CTSLCTSSCTSKGPR139TAS1R3
SCHEMBL24283565 0.92 CTSL (0.64) CTSLCTSSCTSKGPR139TAS1R3
SCHEMBL7429879 0.89 CTSL (0.59) CTSLCTSSCTSKGPR139TAS1R3
SCHEMBL7417805 0.83 GRN (0.62) CTSLCTSSCTSKGPR139GRN
SCHEMBL5869846 0.81 CTSL (0.53) CTSLCTSSCTSKGPR139TAS1R3
SCHEMBL5869864 0.81 CTSL (0.53) CTSLCTSSCTSKGPR139TAS1R3
SCHEMBL5869856 0.81 CTSL (0.53) CTSLCTSSCTSKGPR139TAS1R3
SCHEMBL7427022 0.81 PIN1 (0.56) CTSKTAS1R3TAS1R1GRNSORT1
SCHEMBL6183715 0.81 CTSL (0.76) CTSLCTSSCTSKGPR139
SCHEMBL13753833 0.80 TAS1R3 (0.63) CTSLCTSSCTSKGPR139TAS1R3

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