SCHEMBL6989022

SCHEMBL6989022

COc1cc(C(=CC=O)c2cc(OC)c(OC)c(-c3cccs3)c2)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 5/20 0.50
TUBB4A P04350 4/20 0.49
TUBB P07437 4/20 0.49
TUBA3C P0DPH7 4/20 0.49
TUBA1B P68363 4/20 0.49
TUBA4A P68366 4/20 0.49
TUBB4B P68371 4/20 0.49
TUBB3 Q13509 4/20 0.49
TUBB2A Q13885 4/20 0.49
TUBB8 Q3ZCM7 4/20 0.49
TUBA3E Q6PEY2 4/20 0.49
TUBA1A Q71U36 4/20 0.49
TUBA1C Q9BQE3 4/20 0.49
TUBB6 Q9BUF5 4/20 0.49
TUBB2B Q9BVA1 4/20 0.49
TUBB1 Q9H4B7 4/20 0.49
MAPT P10636 4/20 0.49
ERN1 O75460 2/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46

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
SCHEMBL6985223 0.77 ERN1 (0.49) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6040526 0.77 TNFRSF1A (0.55) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5571761 0.75 TNFRSF1A (0.81) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5571769 0.75 TNFRSF1A (0.81) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7058562 0.75 TNFRSF1A (0.57) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5575689 0.73 TNFRSF1A (0.67) TNFRSF1ASMN1; SMN2TP53LMNACYP3A4
SCHEMBL4728380 0.72 TNFRSF1A (0.49) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6094342 0.72 TNFRSF1A (0.49) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6112015 0.72 TNFRSF1A (0.72) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6092533 0.71 MAPT (0.53) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B

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