SCHEMBL12714843

SCHEMBL12714843

COc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.83
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
KMT2A Q03164 1/20 0.63
RELA Q04206 1/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
ESR2 Q92731 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54

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
SCHEMBL295716 1.00 ACHE (0.83) ACHENPC1RAB9AKMT2ARELA
SCHEMBL3676881 1.00 ACHE (0.83) ACHENPC1RAB9AKMT2ARELA
Hydrazine SCHEMBL27971879 0.95 ACHE (0.75) ACHENPC1RAB9AKMT2ARELA
SCHEMBL12276818 0.93 ACHE (0.71) ACHENPC1RAB9AKMT2ARELA
SCHEMBL12334794 0.93 ACHE (0.71) ACHENPC1RAB9AKMT2ARELA
SCHEMBL12761860 0.93 ACHE (0.71) ACHENPC1RAB9AKMT2ARELA
SCHEMBL12770835 0.93 ACHE (0.71) ACHENPC1RAB9AKMT2ARELA
SCHEMBL12335539 0.93 ACHE (0.71) ACHENPC1RAB9AKMT2ARELA
SCHEMBL18708707 0.93 ACHE (0.71) ACHENPC1RAB9AKMT2ARELA
SCHEMBL14826485 0.93 ACHE (0.71) ACHENPC1RAB9AKMT2ARELA

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-1063869-B1 METHOD FOR SELECTING ORGANIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO (JP) 2011-04-06 EP disclosed
EP-2270117-A2 Organic electroluminescence device Idemitsu Kosan Co., Ltd. (JP) 2011-01-05 EP disclosed