SCHEMBL7598392

SCHEMBL7598392

C=CCCCCCCCCOc1ccc(O)c(C=NCCNC=C(C=O)c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA2 P00918 6/20 0.35
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LSS P48449 2/20 0.33
CA12 O43570 4/20 0.33
CA9 Q16790 4/20 0.33
GAA P10253 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MAOB P27338 2/20 0.32
ALDH2 P05091 1/20 0.32
MAOA P21397 1/20 0.32
CA1 P00915 1/20 0.32
SLC10A2 Q12908 1/20 0.32

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
SCHEMBL7597620 0.91 TP53 (0.36) ALDH1A1L3MBTL1CA2NPC1RAB9A
SCHEMBL7597760 0.81 MEN1 (0.47) CA2NPC1RAB9A
SCHEMBL7600446 0.80 CA2 (0.44) ALDH1A1L3MBTL1CA2KDM4ECA12
SCHEMBL7599960 0.80 CA2 (0.44) ALDH1A1L3MBTL1CA2KDM4ECA12
SCHEMBL7599962 0.80 CA2 (0.44) ALDH1A1L3MBTL1CA2KDM4ECA12
SCHEMBL7600443 0.80 CA2 (0.44) ALDH1A1L3MBTL1CA2KDM4ECA12
SCHEMBL7598088 0.72 ERN1 (0.50) ALDH1A1L3MBTL1LSSMAOBALDH2
SCHEMBL7600418 0.72 ERN1 (0.50) ALDH1A1L3MBTL1LSSMAOBALDH2
SCHEMBL7598397 0.71 ALDH1A1 (0.33) ALDH1A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL7596822 0.67 CA2 (0.43) ALDH1A1CA2KDM4ECA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927155-B1 METAL-CONTAINING SIDE CHAIN LIQUID CRYSTAL POLYMERS QINETIQ LTD (GB) 2002-11-20 EP disclosed
US-6184322-B1 USED IN DISPLAY TECHNOLOGY, THIN FILM MAGNETIC MATERIALS FOR USE IN DATA STORAGE, LUBRICANTS AND ANISOTROPICALLY SUPPORTED CATALYSTS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2001-02-06 US disclosed