SCHEMBL8205579

SCHEMBL8205579

COc1ccc(C=CC=Cc2ccc(C=CC=Cc3ccc(OC)c(C(=O)O)c3)cc2)cc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.65
PTPN2 P17706 2/20 0.56
PTPN1 P18031 2/20 0.56
PTPN6 P29350 2/20 0.56
MAOB P27338 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALOX15 P16050 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.51
MAOA P21397 3/20 0.51
TUBB1 Q9H4B7 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
MEN1 O00255 2/20 0.48
TP53 P04637 2/20 0.48

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
SCHEMBL13926059 0.93 APP (0.73) APPPTPN2PTPN1PTPN6ALDH1A1
SCHEMBL23143178 0.89 APP (0.68) APPPTPN2PTPN1PTPN6ALDH1A1
SCHEMBL30075229 0.89 APP (0.68) APPPTPN2PTPN1PTPN6ALDH1A1
SCHEMBL23143168 0.89 APP (0.68) APPPTPN2PTPN1PTPN6ALDH1A1
SCHEMBL5388897 0.87 APP (0.65) APPPTPN2PTPN1PTPN6ALDH1A1
SCHEMBL5388899 0.87 APP (0.65) APPPTPN2PTPN1PTPN6ALDH1A1
SCHEMBL5388902 0.87 APP (0.65) APPPTPN2PTPN1PTPN6ALDH1A1
SCHEMBL10167884 0.86 PTPN1 (0.73) APPPTPN2PTPN1PTPN6KDM4E
SCHEMBL2934800 0.83 ALDH1A1 (0.61) APPPTPN2PTPN1PTPN6ALDH1A1
SCHEMBL29956561 0.83 ALDH1A1 (0.61) APPPTPN2PTPN1PTPN6ALDH1A1

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-0977815-A1 ALKYL, ALKENYL AND ALKYNYL CHRYSAMINE G DERIVATIVES FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND $i(IN VIVO) IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 2000-02-09 EP disclosed
WO-1998047969-A1 ALKYL, ALKENYL AND ALKYNYL CHRYSAMINE G DERIVATIVES FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1998-10-29 WO disclosed