SCHEMBL7455184

SCHEMBL7455184

COc1cc2c(=O)c3cc4cc5c(=O)c6ccccc6c(=O)c5cc4cc3c(=O)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NQO1 P15559 1/20 0.50
MAOA P21397 5/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
HPGD P15428 2/20 0.44
NQO2 P16083 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PDPK1 O15530 1/20 0.42
MAPT P10636 1/20 0.42
CTSG P08311 1/20 0.42
KLK7 P49862 1/20 0.42
KLK14 Q9P0G3 1/20 0.42

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
SCHEMBL7455169 0.80 NPC1 (0.54) NPC1MEN1KMT2ANQO1MAOA
SCHEMBL9765553 0.79 MEN1 (0.54) NPC1MEN1KMT2ANQO1ALDH1A1
SCHEMBL6370043 0.78 GPR84 (0.58) NPC1MEN1KMT2ANQO1MAOA
SCHEMBL19570740 0.78 ALDH1A1 (0.42) MAOAKDM4EALDH1A1LMNAHPGD
SCHEMBL20668950 0.76 ALDH1A1 (0.41) MEN1KMT2AMAOAKDM4EALDH1A1
SCHEMBL4094512 0.75 MEN1 (0.47) NPC1MEN1KMT2AMAOAKDM4E
SCHEMBL14280975 0.75 CA1 (0.55) NPC1MEN1KMT2ANQO1KDM4E
SCHEMBL7331674 0.74 NPC1 (1.00) NPC1MEN1KMT2AMAOAKDM4E
Water SCHEMBL9036802 0.73 MEN1 (0.46) NPC1MEN1KMT2AMAOAKDM4E
SCHEMBL21624244 0.73 NPC1 (0.67) NPC1MEN1KMT2AMAOAKDM4E

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-1163372-A4 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES PRINCETON SEPARATIONS (US) 2002-10-02 EP claimed
EP-1163372-A1 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES Princeton Separations (US) 2001-12-19 EP claimed
WO-2000056933-A1 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES PRINCETON SEPARATIONS (US) 2000-09-28 WO claimed
EP-1163372-A4 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES PRINCETON SEPARATIONS (US) 2002-10-02 EP disclosed
EP-1163372-A1 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES Princeton Separations (US) 2001-12-19 EP disclosed
WO-2000056933-A1 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES PRINCETON SEPARATIONS (US) 2000-09-28 WO disclosed