SCHEMBL9965281

SCHEMBL9965281

COc1cc(C)c(-c2c3ccccc3c(-c3c(C)cc(-c4cccc5ccccc45)cc3C)c3ccccc23)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ABL1 P00519 2/20 0.41
ABCB1 P08183 2/20 0.41
BCR P11274 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CRHR1 P34998 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL7699015 0.86 MAPT (0.46) MAPTABL1ABCB1BCRMEN1
SCHEMBL9965282 0.82 CA12 (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL15258011 0.82 CA12 (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL9965252 0.82 TLR8 (0.49) MAPTMEN1KMT2AALDH1A1CA12
SCHEMBL9965253 0.79 CA12 (0.41) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL9965263 0.79 MAPT (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28167268 0.76 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL12989388 0.75 CYP11B1 (0.52) MEN1KMT2AALDH1A1RAB9ACYP11B1
SCHEMBL5286981 0.74 BRD4 (0.55) KMT2AALDH1A1CYP11B1CYP11B2CYP2C9
SCHEMBL1890032 0.74 PPARG (0.56) ABL1ABCB1BCRRAB9ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130240869-A1 ANTHRACENE DERIVATIVE COMPOUNDS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY 2013-09-19 US disclosed
US-20130240869-A1 ANTHRACENE DERIVATIVE COMPOUNDS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY 2013-09-19 US disclosed
WO-2012083300-A1 ANTHRACENE DERIVATIVE COMPOUNDS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-21 WO disclosed