SCHEMBL9160841

SCHEMBL9160841

CCSSC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
CYP2C19 P33261 1/20 0.47
TGM2 P21980 3/20 0.46
KDM4E B2RXH2 5/20 0.45
PKM P14618 1/20 0.45
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.41

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
Hydrochloric Acid SCHEMBL9426072 0.99 ALDH1A1 (0.50) ALDH1A1HTTMEN1KMT2ACYP2C19
SCHEMBL9154438 0.89 ALDH1A1 (0.51) ALDH1A1HTTMEN1KMT2ACYP2C19
SCHEMBL9425893 0.89 ALDH1A1 (0.51) ALDH1A1HTTMEN1KMT2ACYP2C19
Hydrochloric Acid SCHEMBL9425757 0.89 ALDH1A1 (0.51) ALDH1A1HTTMEN1KMT2ACYP2C19
SCHEMBL9156987 0.88 ALDH1A1 (0.55) ALDH1A1HTTMEN1KMT2ACYP2C19
SCHEMBL9426204 0.88 KMT2A (0.47) ALDH1A1MEN1KMT2ATGM2KDM4E
SCHEMBL9426464 0.88 ALDH1A1 (0.55) ALDH1A1HTTMEN1KMT2ACYP2C19
Hydrochloric Acid SCHEMBL9426160 0.88 ALDH1A1 (0.55) ALDH1A1HTTMEN1KMT2ACYP2C19
SCHEMBL9426250 0.86 ALDH1A1 (0.53) ALDH1A1HTTMEN1KMT2ACYP2C19
SCHEMBL9160835 0.85 ALDH1A1 (0.50) ALDH1A1HTTMEN1KMT2ACYP2C19

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
EP-0533516-B1 Amides of 1-(alkoxybenzyl)piperazines, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-02-08 EP disclosed
US-5340809-A Antihypoxic, antiischemic agents ADIR ET COMPAGNIE (FR) 1994-08-23 US disclosed
EP-0533516-A2 Amides of 1-(alkoxybenzyl)piperazines, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-03-24 EP disclosed