SCHEMBL3105473

SCHEMBL3105473

O=C(O)c1cc(C(=O)O)cc(-c2cc(C(=O)O)cc(C(=O)O)c2)c1.O=C(O)c1ccc(C(=O)O)c2c(C(=O)O)ccc(C(=O)O)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
DHODH Q02127 4/20 0.50
KDM4E B2RXH2 1/20 0.42
KMO O15229 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CDC25A P30304 1/20 0.39

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
SCHEMBL28048597 0.83 DHODH (0.52) DHODHKDM4EKMOKMT2ARXRA
SCHEMBL145349 0.83 DHODH (0.58) DHODHKDM4EKMOTSHRTP53
SCHEMBL15814719 0.80 DHODH (0.69) DHODHKMORXRARXRB
SCHEMBL16488615 0.80 DHODH (0.69) DHODHKMORXRARXRB
Hydrochloric Acid SCHEMBL28786184 0.80 DHODH (0.56) DHODHKDM4EKMOTSHRTP53
SCHEMBL16271136 0.80 DHODH (0.56) DHODHKDM4EKMOTSHRTP53
SCHEMBL12203147 0.80 DHODH (0.57) DHODHKDM4EKMOTSHRTP53
Hydrochloric Acid SCHEMBL28650830 0.80 DHODH (0.56) DHODHKDM4EKMOTSHRTP53
SCHEMBL15521765 0.80 DHODH (0.57) DHODHKDM4EKMOTSHRTP53
Water SCHEMBL28587831 0.80 DHODH (0.56) DHODHKDM4EKMOTSHRTP53

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-2267059-B1 Proton conducting membrane and its application BASF SE (DE) 2012-08-22 EP claimed
EP-1379572-B1 PROTON-CONDUCTING MEMBRANE AND THE USE THEREOF BASF FUEL CELL RES GMBH (DE) 2010-12-29 EP claimed
EP-2267059-A1 Proton conducting membrane and its application BASF Fuel Cell Research GmbH (DE) 2010-12-29 EP claimed
EP-1379573-B1 PROTON-CONDUCTING MEMBRANE AND USE THEREOF BASF FUEL CELL RES GMBH (DE) 2010-12-15 EP claimed