SCHEMBL8092343

SCHEMBL8092343

O=C(O)COc1ccc(CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.41
ALOX15 P16050 1/20 0.40
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR1 O14842 1/20 0.38
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PTPN7 P35236 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN12 Q05209 1/20 0.37

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
SCHEMBL6140038 0.94 MAOB (0.44) MAOBALOX15ALDH1A1TSHRSMN1; SMN2
Caloxetic Acid Free Base SCHEMBL92689 0.89 MAOB (0.43) MAOBALDH1A1SMN1; SMN2
Caloxetic Acid Free Base SCHEMBL8412091 0.89 MAOB (0.43) MAOBALDH1A1SMN1; SMN2
SCHEMBL8842428 0.89 ALDH1A1 (0.41) MAOBKCNH2ALDH1A1MEN1KMT2A
Caloxetic Acid Free Base SCHEMBL19667947 0.88 MAOB (0.42) MAOBALDH1A1SMN1; SMN2
Caloxetic Acid Free Base SCHEMBL29375456 0.88 MAOB (0.42) MAOBALDH1A1SMN1; SMN2
Caloxetic Acid Free Base SCHEMBL19667948 0.88 MAOB (0.42) MAOBALDH1A1SMN1; SMN2
SCHEMBL8092304 0.87 LMNA (0.44) MAOBKCNH2ALDH1A1TSHR
SCHEMBL8090970 0.87 MAOB (0.57) MAOBFFAR1
SCHEMBL8085932 0.86 LDHA (0.49) MAOBSMN1; SMN2FFAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6039931-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-21 US claimed
US-5695739-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-09 US claimed
US-6039931-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-21 US disclosed
US-5798092-A METAL COMPLEXES; CONTRAST AGENTS FOR MEDICAL IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-25 US disclosed
US-5695739-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed