SCHEMBL4816233

SCHEMBL4816233

CC(C)(C)Cn1ccc(C(=O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
KDM4C Q9H3R0 1/20 0.40
PLA2G4A P47712 1/20 0.40
ALDH1A1 P00352 2/20 0.38
PTGER1 P34995 1/20 0.38
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
ADORA3 P0DMS8 3/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34

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
SCHEMBL17438091 0.89 SMN1; SMN2 (0.48) SMN1; SMN2KDM4CPLA2G4AALDH1A1PTGER1
SCHEMBL30232602 0.83 SMN1; SMN2 (0.46) SMN1; SMN2KDM4CPLA2G4AALDH1A1PTGER1
SCHEMBL297632 0.82 SMN1; SMN2 (0.48) SMN1; SMN2KDM4CPLA2G4AALDH1A1PTGER1
SCHEMBL932824 0.79 ALDH1A1 (0.55) SMN1; SMN2KDM4CPLA2G4AALDH1A1KMT2A
SCHEMBL167425 0.76 SMN1; SMN2 (0.49) SMN1; SMN2KDM4CPLA2G4AALDH1A1PTGER1
SCHEMBL6314796 0.76 SMN1; SMN2 (0.51) SMN1; SMN2KDM4CPLA2G4AALDH1A1PTGER1
SCHEMBL31373302 0.76 KDM4C (0.58) SMN1; SMN2KDM4CPLA2G4AALDH1A1PTGER1
SCHEMBL31373301 0.76 KDM4C (0.58) SMN1; SMN2KDM4CPLA2G4AALDH1A1PTGER1
SCHEMBL29625285 0.76 SMN1; SMN2 (0.55) SMN1; SMN2KDM4CPLA2G4AALDH1A1PTGER1
SCHEMBL6877868 0.75 SMN1; SMN2 (0.48) SMN1; SMN2KDM4CPLA2G4AALDH1A1PTGER1

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-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO disclosed