SCHEMBL6889189

SCHEMBL6889189

CCCCCCCCCc1ccc(Cc2cc(C(=O)O)ccc2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.62
RARA P10276 2/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPT P10636 1/20 0.62
MTOR P42345 1/20 0.62
KMT2A Q03164 1/20 0.62
PPARA Q07869 2/20 0.59
RARG P13631 1/20 0.58
PLK1 P53350 3/20 0.56
PLK3 Q9H4B4 1/20 0.56
KAT8 Q9H7Z6 2/20 0.56
PPARG P37231 1/20 0.56

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
SCHEMBL6887843 1.00 RARB (0.62) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL6655375 1.00 RARB (0.62) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL6056890 0.88 KAT8 (0.61) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL6057037 0.88 KAT8 (0.61) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL6056994 0.88 KAT8 (0.61) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL6653437 0.86 RARB (0.62) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL6655347 0.86 RARB (0.62) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL6886265 0.86 RARB (0.62) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL8515505 0.85 PPARA (0.56) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL7262506 0.85 PPARA (0.56) RARBRARAMEN1ALDH1A1MAPT

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
CN-1592729-A Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES CO (US) 2005-03-09 CN disclosed
CN-1582506-A Substituted pentacene semiconductors 3M INNOVATIVE PROPERTIES CO (US) 2005-02-16 CN disclosed
EP-1430008-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M Innovative Properties Company (US) 2004-06-23 EP disclosed
WO-2003027050-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO disclosed