SCHEMBL6551120

SCHEMBL6551120

O=[N+]([O-])c1cc(OCC2COCCOCCOCCOCCO2)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 2/20 0.37
▸ GAA P10253 1/20 0.36

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
SCHEMBL6550218 1.00 GPR35 (0.41) GPR35ALDH1A1MEN1KMT2AMAPT
SCHEMBL10892031 0.77 CYP1A2 (0.51) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL10895512 0.74 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL25212147 0.74 GRM4 (0.37) ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL25212666 0.74 GRM4 (0.37) ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL11394554 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL26639967 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1700083 0.72 LMNA (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1700104 0.72 LMNA (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1699894 0.72 LMNA (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036334-B1 ION DETECTOR CONSISTING OF PARTICLES WITH TARGET AND INDICATOR IONOPHORES DISTRIBUTED THEREIN BECKMAN COULTER INC (US) 2004-02-04 — — EP disclosed
US-6165796-A Pipettable ion detector and method BECKMAN COULTER, INC. (US) 2000-12-26 — — US disclosed
EP-1036334-A1 ION DETECTOR CONSISTING OF PARTICLES WITH TARGET AND INDICATOR IONOPHORES DISTRIBUTED THEREIN Beckman Coulter, Inc. (US) 2000-09-20 — — EP disclosed
WO-1999027371-A1 ION DETECTOR CONSISTING OF PARTICLES WITH TARGET AND INDICATOR IONOPHORES DISTRIBUTED THEREIN BECKMAN COULTER, INC. (US) 1999-06-03 — — WO disclosed
Send feedback