SCHEMBL6989732

SCHEMBL6989732

COc1cc(OC)c(-c2cc3ccccc3s2)cc1C(=CC=O)c1cc(OC)c(O)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 11/20 0.61
ERN1 O75460 2/20 0.51
ACLY P53396 3/20 0.41
AVPR1A P37288 1/20 0.40
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6988580 0.82 TNFRSF1A (0.59) TNFRSF1AERN1AVPR1A
SCHEMBL6985223 0.81 ERN1 (0.49) TNFRSF1AERN1MEN1MAPTKMT2A
SCHEMBL5574920 0.78 TNFRSF1A (0.69) TNFRSF1AERN1MEN1MAPTKMT2A
SCHEMBL6990105 0.76 TNFRSF1A (0.60) TNFRSF1AERN1ACLYMAPTKDM4E
SCHEMBL5575979 0.76 TNFRSF1A (1.00) TNFRSF1AERN1
SCHEMBL5574923 0.76 TNFRSF1A (1.00) TNFRSF1AERN1
SCHEMBL5575670 0.75 TNFRSF1A (0.98) TNFRSF1AERN1
SCHEMBL5575672 0.75 TNFRSF1A (0.98) TNFRSF1AERN1
SCHEMBL5575666 0.75 TNFRSF1A (0.98) TNFRSF1AERN1
SCHEMBL5960621 0.73 TNFRSF1A (0.62) TNFRSF1AERN1KDM4EALDH1A1TDP1

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 5 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
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-2003033662-A2 PROTECTION AGAINST OXIDATIVE STRESS AND INFLAMMATION BY A CYTOPROTECTIVE RESPONSE ELEMENT ATHEROGENICS, INC. (US) 2003-04-24 WO 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