SCHEMBL14454078

SCHEMBL14454078

COc1cc(OC)c(C(=O)/C=C/c2cc(Br)c(OC)c(OC)c2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 4/20 1.00
▸ TUBB4A P04350 2/20 0.60
▸ TUBB P07437 2/20 0.60
▸ TUBA3C P0DPH7 2/20 0.60
▸ TUBA1B P68363 2/20 0.60
▸ TUBA4A P68366 2/20 0.60
▸ TUBB4B P68371 2/20 0.60
▸ TUBB3 Q13509 2/20 0.60
▸ TUBB2A Q13885 2/20 0.60
▸ TUBB8 Q3ZCM7 2/20 0.60
▸ TUBA3E Q6PEY2 2/20 0.60
▸ TUBA1A Q71U36 2/20 0.60
▸ TUBA1C Q9BQE3 2/20 0.60
▸ TUBB6 Q9BUF5 2/20 0.60
▸ TUBB2B Q9BVA1 2/20 0.60
▸ TUBB1 Q9H4B7 2/20 0.60
▸ ABCG2 Q9UNQ0 3/20 0.60
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ KRAS P01116 2/20 0.56

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
SCHEMBL5576298 0.88 TNFRSF1A (1.00) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14454077 0.88 TNFRSF1A (1.00) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5960638 0.83 TNFRSF1A (1.00) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5960636 0.83 TNFRSF1A (1.00) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7730270 0.81 KDM4E (0.79) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28914840 0.81 GAA (0.79) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1134588 0.81 KDM4E (0.79) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30122806 0.81 GAA (0.79) TNFRSF1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29011895 0.81 TNFRSF1A (0.67) TNFRSF1AABCG2CA1CA2KRAS
SCHEMBL997003 0.80 TUBB4A (0.68) 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
US-7247714-B2 Protection against oxidative stress and inflammation by a cytoprotective response element ATHEROGENICS, INC. (US) 2007-07-24 — — US disclosed
US-7247714-B2 Protection against oxidative stress and inflammation by a cytoprotective response element ATHEROGENICS, INC. (US) 2007-07-24 — — US disclosed
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