SCHEMBL7087083

SCHEMBL7087083

COc1cc(OC)c(C(=O)C(=CC=C(C(=O)c2ccc(OC)c(OC)c2)c2cc(-c3cccs3)ccc2OC)c2cc(-c3cccs3)ccc2OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 17/20 0.54
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
SCHEMBL7090129 0.92 TNFRSF1A (0.55) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL7090922 0.91 TNFRSF1A (0.53) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL7087566 0.87 TNFRSF1A (0.55) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL7121640 0.76 TNFRSF1A (0.64) TNFRSF1AMAPTHDAC1HDAC2
SCHEMBL7124922 0.75 TNFRSF1A (0.61) TNFRSF1A
SCHEMBL7091731 0.73 TNFRSF1A (0.59) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6990108 0.72 TNFRSF1A (0.60) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4680908 0.71 TNFRSF1A (0.57) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6092830 0.71 TNFRSF1A (0.57) TNFRSF1AKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4685813 0.70 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 claimed
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 claimed