SCHEMBL9138012

SCHEMBL9138012

COC(=O)CN(CCN(CC(=O)OC)CC(Cc1ccc(N)cc1)N(CC(=O)OC)CC(=O)OC)CC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
CA4 P22748 4/20 0.32
SOAT1 P35610 1/20 0.32
PPIB P23284 1/20 0.32
PPIA P62937 1/20 0.32
PPID Q08752 1/20 0.32
PPIG Q13427 1/20 0.32
TSHR P16473 2/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32

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
SCHEMBL9137645 0.87 MAOB (0.44) MAOBALDH1A1NPC1RAB9ALMNA
SCHEMBL3748687 0.87 NR1D1 (0.36) CA1CA2CA4PPIBPPIA
SCHEMBL12963768 0.84 LMNA (0.43) CA1CA2ALDH1A1NPC1RAB9A
SCHEMBL25983031 0.83 TOP2A (0.33) MAOBALDH1A1PPIBPPIAPPID
SCHEMBL29395464 0.82 TDP1 (0.39) CA1CA2CA4TSHRLMNA
SCHEMBL189879 0.82 TDP1 (0.39) CA1CA2CA4TSHRLMNA
SCHEMBL21652462 0.82 TDP1 (0.39) CA1CA2CA4TSHRLMNA
SCHEMBL12761956 0.82 NR1D1 (0.34) ALDH1A1PPIBPPIAPPIDPPIG
SCHEMBL12343945 0.82 MAOB (0.32) MAOBALDH1A1GAAGFERCYP2C19
SCHEMBL21652507 0.81 MAOB (0.35) MAOBCA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5412148-A Amplifier molecules derived from diethylene triaminepentaacetic acid for enhancement of diagnosis and therapy THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1995-05-02 US disclosed
US-5252317-A Amplifier molecules for diagnosis and therapy derived from 3,5-bis[1-(3-amino-2,2-bis (aminomethyl)-propyl) oxymethyl] benzoic acid THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1993-10-12 US disclosed
US-5135737-A Amplifier molecules for enhancement of diagnosis and therapy THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1992-08-04 US disclosed