SCHEMBL453301

SCHEMBL453301

CCCCCCCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTSG P08311 3/20 0.47
CMA1 P23946 3/20 0.47
PKM P14618 1/20 0.47
ITGA4 P13612 3/20 0.46
ITGB7 P26010 3/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CTSL P07711 1/20 0.46
ACE P12821 1/20 0.44

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
SCHEMBL13524993 0.88 CTSL (0.54) RAB9ACTSGCMA1GAACTSL
SCHEMBL8964444 0.83 ALDH1A1 (0.47) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL8964517 0.83 ALDH1A1 (0.47) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL453563 0.82 MAPT (0.48) RAB9AGAAALDH1A1LMNA
SCHEMBL11906993 0.81 CTSL (0.56) ITGA4ITGB7CTSL
SCHEMBL6938746 0.80 CA2 (0.59) RAB9ANPC1TP53SMN1; SMN2PKM
SCHEMBL27808559 0.80 CTSL (0.64) RAB9ACTSGCMA1GAAALDH1A1
SCHEMBL8588574 0.80 CA2 (0.59) RAB9ANPC1TP53SMN1; SMN2PKM
SCHEMBL6850655 0.80 CA2 (0.59) RAB9ANPC1TP53SMN1; SMN2PKM
SCHEMBL27808561 0.80 CTSL (0.64) RAB9ACTSGCMA1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 EP claimed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 WO claimed
US-20120064601-A1 Chromatography Membranes for the Purification of Chiral Compounds NATRIX SEPARATIONS INC. (CA) 2012-03-15 US claimed
EP-2616169-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS Natrix Separations Inc. (CA) 2013-07-24 EP disclosed
WO-2012037101-A2 CHROMATOGRAPHY MEMBRANES FOR THE PURIFICATION OF CHIRAL COMPOUNDS NATRIX SEPARATIONS INC. (CA) 2012-03-22 WO disclosed
US-20120064601-A1 Chromatography Membranes for the Purification of Chiral Compounds NATRIX SEPARATIONS INC. (CA) 2012-03-15 US disclosed