SCHEMBL23629772

SCHEMBL23629772

Cc1ccc(O)c(CN(CCN(CC(=O)O)Cc2cc(C)ccc2O)CC(=O)O)c1.[NaH].[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
AMY1A P0DUB6 1/20 0.44
CSNK2A1 P68400 1/20 0.42
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SRC P12931 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
EYA2 O00167 1/20 0.39
APP P05067 1/20 0.39
ACE P12821 1/20 0.39
PRKCI P41743 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
CHRM2 P08172 2/20 0.38
ADRA2A P08913 1/20 0.38
TSHR P16473 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL935095 1.00 HTT (0.47) HTTAMY1ACSNK2A1POLBMAPT
SCHEMBL545256 0.98 HTT (0.48) HTTAMY1ACSNK2A1POLBMAPT
Hydrochloric Acid SCHEMBL934885 0.97 HTT (0.47) HTTAMY1ACSNK2A1POLBMAPT
SCHEMBL935126 0.97 HTT (0.47) HTTAMY1ACSNK2A1POLBMAPT
Hydrochloric Acid SCHEMBL2794700 0.95 HTT (0.46) HTTAMY1ACSNK2A1POLBMAPT
SCHEMBL3962618 0.94 HTT (0.47) HTTAMY1ACSNK2A1POLBMAPT
SCHEMBL16660357 0.91 HTT (0.52) HTTAMY1ACSNK2A1MAPTGAA
SCHEMBL23425468 0.89 POLB (0.42) HTTAMY1ACSNK2A1POLBMAPT
SCHEMBL22693634 0.88 HTT (0.41) HTTAMY1ACSNK2A1POLBMAPT
SCHEMBL5268211 0.88 SRC (0.43) HTTCSNK2A1POLBMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848349-B1 A PROCESS FOR THE PREPARATION OF SALTS OF N,N'-DISUBSTITUTED ETHYLENEDIAMINE-N,N'-DIACETIC ACID DERIVATIVES AND THEIR USE PRZED PRODUKCYJNO CONSULTINGOWE ADOB SP Z O O (PL) 2023-03-15 EP disclosed
EP-3848349-A1 A PROCESS FOR THE PREPARATION OF SALTS OF N,N'-DISUBSTITUTED ETHYLENEDIAMINE-N,N'-DIACETIC ACID DERIVATIVES AND THEIR USE Przedsiebiorstwo Produkcyjno-Consultingowe ADOB Sp. z o.o. Sp. jawna (PL) 2021-07-14 EP disclosed