SCHEMBL3359705

SCHEMBL3359705

NC(Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.72
KDM4E B2RXH2 1/20 0.71
MEN1 O00255 1/20 0.71
LMNA P02545 1/20 0.71
MPO P05164 1/20 0.71
MAPT P10636 1/20 0.71
TSHR P16473 1/20 0.71
BLM P54132 1/20 0.71
PMP22 Q01453 1/20 0.71
KMT2A Q03164 1/20 0.71
HIF1A Q16665 1/20 0.71
ECE1 P42892 7/20 0.67
ALOX15 P16050 1/20 0.67
ERAP2 Q6P179 1/20 0.64

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
SCHEMBL11855463 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL14595067 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL9869824 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL9596897 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL9596908 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL29701966 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL5612810 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL5583839 1.00 ACE (0.72) ACEKDM4EMEN1LMNAMPO
SCHEMBL30862445 0.98 ACE (0.69) ACEKDM4EMEN1LMNAMPO
SCHEMBL9868128 0.98 ACE (0.69) ACEKDM4EMEN1LMNAMPO

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-2010045474-A2 METHOD OF REMOVING PROTEIN-BOUND DELETERIOUS SUBSTANCES DURING EXTRACORPOREAL RENAL REPLACEMENT TREATMENT FRESENIUS MEDICAL CARE HOLDINGS, INC. (US) 2010-04-22 WO disclosed