SCHEMBL7090922

SCHEMBL7090922

COc1cc(OC)c(C(=O)C(=CC=C(C(=O)c2cc(OC)c(OC)c(OC)c2)c2cc(-c3cccs3)ccc2OC)c2cc(-c3cccs3)ccc2OC)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 13/20 0.53
TUBB4A P04350 3/20 0.48
TUBB P07437 3/20 0.48
TUBA3C P0DPH7 3/20 0.48
TUBA1B P68363 3/20 0.48
TUBA4A P68366 3/20 0.48
TUBB4B P68371 3/20 0.48
TUBB3 Q13509 3/20 0.48
TUBB2A Q13885 3/20 0.48
TUBB8 Q3ZCM7 3/20 0.48
TUBA3E Q6PEY2 3/20 0.48
TUBA1A Q71U36 3/20 0.48
TUBA1C Q9BQE3 3/20 0.48
TUBB6 Q9BUF5 3/20 0.48
TUBB2B Q9BVA1 3/20 0.48
TUBB1 Q9H4B7 3/20 0.48
ABCB1 P08183 1/20 0.47
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 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
SCHEMBL7087083 0.91 TNFRSF1A (0.54) TNFRSF1AKDM4EALDH1A1MEN1KMT2A
SCHEMBL7087566 0.85 TNFRSF1A (0.55) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7090129 0.83 TNFRSF1A (0.55) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1307573 0.78 TUBB4A (0.69) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7090845 0.74 TNFRSF1A (0.49) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1308179 0.72 TUBB4A (0.67) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5576279 0.72 TNFRSF1A (0.69) TNFRSF1AABCB1KDM4EALDH1A1MEN1
SCHEMBL1308143 0.71 TUBB4A (0.66) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4680908 0.71 TNFRSF1A (0.57) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7121640 0.70 TNFRSF1A (0.64) TNFRSF1AMAPTHPGDSMN1; SMN2

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-1330448-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS Atherogenics, Inc. (US) 2003-07-30 EP disclosed
WO-2001098291-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS ATHEROGENICS, INC. (US) 2001-12-27 WO disclosed