SCHEMBL9965263

SCHEMBL9965263

COc1cc(C)c(-c2c3ccccc3cc3ccccc23)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CRHR1 P34998 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2A6 P11509 2/20 0.44
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43

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
SCHEMBL1161428 0.82 CYP2A6 (0.57) MAPTALDH1A1CYP1A2CYP2A6CASP3
SCHEMBL20212383 0.80 CYP1A2 (0.65) ALDH1A1CYP1A2CYP2A6HPGDHSD17B10
SCHEMBL9965281 0.79 MAPT (0.44) MAPTALDH1A1CRHR1CYP1A2CYP2A6
SCHEMBL7699015 0.79 MAPT (0.46) MAPTALDH1A1CRHR1CYP1A2CYP2A6
SCHEMBL9965264 0.77 NQO2 (0.50) MAPTALDH1A1CYP1A2CYP2A6CDC25B
SCHEMBL12326164 0.77 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2A6HPGDMEN1
SCHEMBL18762062 0.76 ALOX5 (0.58) MAPTALDH1A1CYP1A2CYP2A6CASP3
SCHEMBL29847407 0.76 ALOX5 (0.58) MAPTALDH1A1CYP1A2CYP2A6CASP3
SCHEMBL18270053 0.75 GPR84 (0.51) MAPTALDH1A1NPSR1CYP1A2HPGD
SCHEMBL9965251 0.75 TUBB4A (0.39) MAPTALDH1A1NPSR1CYP1A2CYP2A6

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