SCHEMBL6790338

SCHEMBL6790338

COc1ccc(C(=O)c2ccc(C(=O)c3ccc(OC)cc3)s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
RAB9A P51151 3/20 0.65
KMT2A Q03164 3/20 0.65
NPC1 O15118 3/20 0.65
MEN1 O00255 2/20 0.65
LMNA P02545 2/20 0.65
HPGD P15428 2/20 0.65
POLB P06746 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
MAPK1 P28482 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
CES2 O00748 2/20 0.57
CES1 P23141 2/20 0.57
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
PARP1 P09874 1/20 0.53
PARP10 Q53GL7 1/20 0.53
PARP2 Q9UGN5 1/20 0.53

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
SCHEMBL10600767 0.88 MAPT (0.60) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL51509 0.83 RXFP1 (0.79) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL9418310 0.83 RXFP1 (0.79) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL7822074 0.82 MAPT (1.00) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL10600939 0.82 CA2 (0.60) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL11542193 0.81 HPGD (0.71) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL11542196 0.80 MAPT (0.75) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL12495328 0.80 HSD17B2 (0.60) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL23361 0.79 HDAC6 (0.66) MAPTNPC1HPGDSMN1; SMN2ALDH1A1
Ethyne SCHEMBL8195983 0.79 RXFP1 (0.73) MAPTRAB9AKMT2ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038076-A1 Poly (paraphenylenevinylene) derivatives and their use as electroluminescence materials KREUDER WILLI (DE) 2004-02-26 US disclosed
EP-0783555-B1 POLY(PARAPHENYLENE VINYLENE) DERIVATIVES AND THEIR USE AS ELECTROLUMINESCENT MATERIALS COVION ORGANIC SEMICONDUCTORS (DE) 2002-12-11 EP disclosed
US-20010031378-A1 Poly (paraphenylenevinylene) derivatives and their use as electroluminescence materials KREUDER WILLI (DE) 2001-10-18 US disclosed
EP-0783555-A1 POLY(PARAPHENYLENE VINYLENE) DERIVATIVES AND THEIR USE AS ELECTROLUMINESCENT MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-16 EP disclosed
WO-1996010617-A1 POLY(PARAPHENYLENE VINYLENE) DERIVATIVES AND THEIR USE AS ELECTROLUMINESCENT MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-11 WO disclosed