SCHEMBL6844172

SCHEMBL6844172

COc1cc(C=Cc2ccc(C=Cc3cc(OC)c(O)c(OC)c3)cc2)cc(OC)c1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 6/20 0.76
ABL1 P00519 1/20 0.71
BCR P11274 1/20 0.71
PTGS1 P23219 4/20 0.63
PTGS2 P35354 4/20 0.63
CYP1A1 P04798 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2B6 P20813 1/20 0.63
PKM P14618 1/20 0.61
TTR P02766 1/20 0.61
MAPT P10636 2/20 0.59
APP P05067 2/20 0.59
NFE2L2 Q16236 1/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 1/20 0.59
TUBB4A P04350 4/20 0.58
TUBB P07437 4/20 0.58

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
SCHEMBL14000544 1.00 TUBB1 (0.76) TUBB1ABL1BCRPTGS1PTGS2
SCHEMBL17938776 0.94 MAPT (0.69) TUBB1ABL1BCRPTGS1PTGS2
SCHEMBL17938777 0.94 MAPT (0.69) TUBB1ABL1BCRPTGS1PTGS2
SCHEMBL16372856 0.93 ABL1 (0.80) TUBB1ABL1BCRPTGS1PTGS2
SCHEMBL17843663 0.93 ABL1 (0.80) TUBB1ABL1BCRPTGS1PTGS2
SCHEMBL16330980 0.92 ABL1 (0.73) TUBB1ABL1BCRPTGS1PTGS2
SCHEMBL3469605 0.92 ABL1 (0.73) TUBB1ABL1BCRPTGS1PTGS2
SCHEMBL2927384 0.90 TUBB1 (0.70) TUBB1ABL1BCRPTGS1PTGS2
SCHEMBL2927389 0.90 TUBB1 (0.70) TUBB1ABL1BCRPTGS1PTGS2
SCHEMBL25381427 0.88 TTR (0.80) TUBB1ABL1BCRPTGS1PTGS2

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
US-20090197202-A1 PHOTOSENSITIVE PLANOGRAPHIC PRINTING PLATE MATERIAL KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-08-06 US disclosed
US-20040234811-A1 Energy-transfer type light-emitting polymer based on poly(p-phenylene vinylene) and preparation thereof CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCE (CN) 2004-11-25 US disclosed