SCHEMBL7600418

SCHEMBL7600418

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.50
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CDK1 P06493 1/20 0.45
MAOB P27338 3/20 0.44
ALDH2 P05091 1/20 0.44
MAOA P21397 1/20 0.44
HTT P42858 1/20 0.38
LPAR2 Q9HBW0 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
LSS P48449 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 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
SCHEMBL7598088 1.00 ERN1 (0.50) ERN1ALDH1A1L3MBTL1CDK1MAOB
SCHEMBL2853452 0.84 ALDH1A1 (0.42) ERN1ALDH1A1L3MBTL1MAOBALDH2
SCHEMBL7595046 0.82 ERN1 (0.57) ERN1CDK1
SCHEMBL9103188 0.82 ERN1 (0.57) ERN1CDK1
SCHEMBL7560250 0.82 ERN1 (0.57) ERN1CDK1
SCHEMBL7599962 0.82 CA2 (0.44) ALDH1A1L3MBTL1MAOBALDH2MAOA
SCHEMBL7600446 0.82 CA2 (0.44) ALDH1A1L3MBTL1MAOBALDH2MAOA
SCHEMBL7599960 0.82 CA2 (0.44) ALDH1A1L3MBTL1MAOBALDH2MAOA
SCHEMBL7600443 0.82 CA2 (0.44) ALDH1A1L3MBTL1MAOBALDH2MAOA
SCHEMBL7596265 0.81 KMT2A (0.48) ERN1ALDH1A1L3MBTL1CDK1TRPV1

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-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
EP-0927155-A1 METAL-CONTAINING SIDE CHAIN LIQUID CRYSTAL POLYMERS THE SECRETARY OF STATE FOR DEFENCE (GB) 1999-07-07 EP disclosed
WO-1997049671-A1 METAL-CONTAINING SIDE CHAIN LIQUID CRYSTAL POLYMERS THE SECRETARY OF STATE FOR DEFENCE (GB) 1997-12-31 WO disclosed