SCHEMBL13626123

SCHEMBL13626123

CCc1cc(C(=O)O)[nH]c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 6/20 0.42
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HCAR3 P49019 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
FBP1 P09467 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDE2A O00408 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
GPR35 Q9HC97 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIN1 Q13526 1/20 0.35

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
SCHEMBL17058650 0.86 HCAR3 (0.43) EIF4A3ALOX15NFKB1BLMSMN1; SMN2
SCHEMBL2405536 0.77 EIF4A3 (0.50) EIF4A3ALOX15NFKB1BLMSMN1; SMN2
SCHEMBL3280762 0.76 EIF4A3 (0.44) EIF4A3ALOX15NFKB1BLMSMN1; SMN2
SCHEMBL23327339 0.68 HPGD (0.43) SMN1; SMN2ALDH1A1GPR35CYP2C19PIN1
SCHEMBL6899150 0.66 PTPN1 (0.41) ALOX15NFKB1BLMSMN1; SMN2HCAR3
SCHEMBL23428879 0.65 ALOX15 (0.43) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL3281469 0.64 GRIN1 (0.43) EIF4A3ALOX15NFKB1BLMSMN1; SMN2
SCHEMBL3281466 0.64 ALOX15 (0.42) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL1244073 0.63 DAO (0.65) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL14208058 0.63 DAO (0.58) EIF4A3ALDH1A1LMNAGPR35CYP2C19

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-2009137596-A1 SUBSTITUTED AMIDES, METHOD OF MAKING, AND USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed