SCHEMBL6229897

SCHEMBL6229897

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.64
▸ APOBEC3A P31941 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ APOBEC3G Q9HC16 1/20 0.64
▸ TNFRSF1A P19438 5/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ABCG2 Q9UNQ0 2/20 0.49
▸ NCOA1 Q15788 1/20 0.49
▸ NCOA3 Q9Y6Q9 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ABCB1 P08183 1/20 0.46
▸ TPMT P51580 1/20 0.45
▸ TUBB1 Q9H4B7 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL6350350 0.88 ABCG2 (0.60) TNFRSF1AABCG2ABCB1TUBB1
SCHEMBL1204414 0.80 HTT (0.72) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL30740894 0.80 HTT (0.72) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL1134614 0.80 TSHR (0.72) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL4895137 0.79 ALDH1A1 (0.49) TSHRTNFRSF1ASMN1; SMN2LMNAHPGD
SCHEMBL30740936 0.78 TSHR (0.70) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL985701 0.78 TSHR (0.70) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL27914756 0.78 TSHR (1.00) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL31520156 0.78 TSHR (0.70) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL18890189 0.78 PKM (0.60) HTTLMNAHPGDABCG2ALDH1A1

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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