SCHEMBL7090129

SCHEMBL7090129

COc1ccc(C(=O)C(=CC=C(C(=O)c2c(OC)cccc2OC)c2cc(-c3cccs3)ccc2OC)c2cc(-c3cccs3)ccc2OC)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 17/20 0.55
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42

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 0.92 TNFRSF1A (0.54) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL7087566 0.91 TNFRSF1A (0.55) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL7090922 0.83 TNFRSF1A (0.53) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6092830 0.79 TNFRSF1A (0.57) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL7121640 0.78 TNFRSF1A (0.64) TNFRSF1AMAPT
SCHEMBL7124922 0.77 TNFRSF1A (0.61) TNFRSF1A
SCHEMBL7091731 0.75 TNFRSF1A (0.59) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6990108 0.73 TNFRSF1A (0.60) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4680908 0.73 TNFRSF1A (0.57) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4685813 0.72 NR4A2 (0.62) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A

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