SCHEMBL6229888

SCHEMBL6229888

C=C(C=O)c1cc(Br)c(OC)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.59
▸ APOBEC3A P31941 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ APOBEC3G Q9HC16 1/20 0.59
▸ TNFRSF1A P19438 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ TUBB4A P04350 3/20 0.44
▸ TUBB P07437 3/20 0.44
▸ TUBA3C P0DPH7 3/20 0.44
▸ TUBA1B P68363 3/20 0.44
▸ TUBA4A P68366 3/20 0.44
▸ TUBB4B P68371 3/20 0.44
▸ TUBB3 Q13509 3/20 0.44
▸ TUBB2A Q13885 3/20 0.44
▸ TUBB8 Q3ZCM7 3/20 0.44
▸ TUBA3E Q6PEY2 3/20 0.44

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
SCHEMBL7122113 0.88 TUBB1 (0.54) HTTTNFRSF1ATUBB4ATUBBTUBA3C
SCHEMBL7105609 0.80 TSHR (0.62) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL6229897 0.77 TSHR (0.64) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL1204414 0.76 HTT (0.72) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL30740894 0.76 HTT (0.72) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL1134614 0.76 TSHR (0.72) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL31520156 0.75 TSHR (0.70) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL30740936 0.75 TSHR (0.70) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL985701 0.75 TSHR (0.70) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL27914756 0.75 TSHR (1.00) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A

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-1513515-A2 SUBSTITUTED 4H-CHROMENES, 2H-CHROMENES, CHROMANS AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-03-16 — — EP disclosed
WO-2003096982-A2 SUBSTITUTED 4H-CHROMENES, 2H-CHROMENES, CHROMANS AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2003-11-27 — — WO disclosed
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