SCHEMBL14291204

SCHEMBL14291204

O=C(O)CN(Cc1ccccc1O)CC(Cc1ccccc1)N(CC(=O)OO)Cc1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.35
▸ MAOB P27338 5/20 0.34
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ OPRD1 P41143 4/20 0.32
▸ OPRK1 P41145 4/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ OPRM1 P35372 1/20 0.30

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
SCHEMBL14291194 0.91 AKR1B1 (0.40) AKR1B1MAOBPOLBMAPK1OPRD1
SCHEMBL13003578 0.90 KCNH2 (0.38) MAOBTP53MEN1KMT2A
SCHEMBL3293230 0.83 AKR1B1 (0.35) AKR1B1MAOBPOLBMAPK1OPRD1
SCHEMBL13293957 0.80 KCNH2 (0.40) TP53MEN1KMT2AMAPT
SCHEMBL13003571 0.79 KMT2A (0.40) POLBKEAP1MEN1KMT2AMAPT
SCHEMBL12749672 0.79 AKR1B1 (0.41) AKR1B1KEAP1MEN1RECQLKMT2A
SCHEMBL3293164 0.79 MEN1 (0.37) MEN1KMT2ATSHR
SCHEMBL13309981 0.78 TGM2 (0.40) MAOBMEN1KMT2A
SCHEMBL12749471 0.74 MEN1 (0.36) AKR1B1POLBMEN1RECQLKMT2A
SCHEMBL4296152 0.74 AKR1B1 (0.61) AKR1B1KEAP1MEN1RECQLKMT2A

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
US-8334320-B2 Methods for chelation therapy UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-12-18 — — US disclosed
Send feedback