SCHEMBL6986840

SCHEMBL6986840

COc1cc(C(=CC=O)c2cc(-c3cccs3)ccc2OC)ccc1OCc1ccncc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 13/20 0.65
NOX1 Q9Y5S8 2/20 0.42
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6990108 0.83 TNFRSF1A (0.60) TNFRSF1AKDM4EALDH1A1
SCHEMBL5575961 0.79 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5575958 0.79 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL6988312 0.78 TNFRSF1A (0.44) TNFRSF1A
SCHEMBL7121640 0.77 TNFRSF1A (0.64) TNFRSF1AMAPTHPGD
SCHEMBL7124922 0.74 TNFRSF1A (0.61) TNFRSF1AHPGD
SCHEMBL5576253 0.71 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5576256 0.71 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL7062708 0.70 TNFRSF1A (0.50) TNFRSF1AKDM4EALDH1A1HSD17B10
SCHEMBL5575701 0.70 TNFRSF1A (1.00) TNFRSF1A

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