SCHEMBL13799050

SCHEMBL13799050

Cc1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc(CF)cc4)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.58
RELA Q04206 1/20 0.48
PTGS1 P23219 3/20 0.45
PTGS2 P35354 3/20 0.45
ALOX5 P09917 2/20 0.45
CA1 P00915 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41

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
SCHEMBL10067871 0.89 NFE2L2 (0.47) NFE2L2RELAPTGS1PTGS2ALOX5
P-Xylene SCHEMBL28885093 0.85 IDO1 (0.52) CA1ALDH1A1IDO1CYP2A6
SCHEMBL174063 0.85
SCHEMBL18513412 0.83 FOS (0.57) PTGS2KMT2AKDM4EALDH1A1NPC1
(E)-1,2-Di-P-Tolylethene SCHEMBL1305580 0.80 NFE2L2 (0.74) NFE2L2RELAPTGS1PTGS2ALOX5
(E)-1,2-Di-P-Tolylethene SCHEMBL1305582 0.80 NFE2L2 (0.74) NFE2L2RELAPTGS1PTGS2ALOX5
SCHEMBL318786 0.80 NFE2L2 (0.74) NFE2L2RELAPTGS1PTGS2ALOX5
SCHEMBL318785 0.80 NFE2L2 (0.74) NFE2L2RELAPTGS1PTGS2ALOX5
(E)-1,2-Di-P-Tolylethene SCHEMBL1793692 0.80 NFE2L2 (0.74) NFE2L2RELAPTGS1PTGS2ALOX5
SCHEMBL6546965 0.79 PTGS1 (0.60) NFE2L2RELAPTGS1PTGS2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090140240-A1 ORGANIC THIN FILM TRANSISTOR IDEMITSU KOSAN CO., LTD. (JP) 2009-06-04 US disclosed