SCHEMBL9786458

SCHEMBL9786458

O=C(CCC(=O)Oc1c(Br)c(Br)c(Br)c(Br)c1Br)Oc1c(Br)c(Br)c(Br)c(Br)c1Br

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CA2 P00918 3/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ VCAM1 P19320 1/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA12 O43570 1/20 0.30

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
SCHEMBL21753716 0.75 PTPN1 (0.39) ALDH1A1HSD17B10CA2PTPN1CA1
SCHEMBL9067587 0.75 PTPN1 (0.39) ALDH1A1KMT2AHSD17B10CA2PTPN1
SCHEMBL10997429 0.70 PTPN1 (0.36) CA2PTPN1
SCHEMBL9168595 0.70 CA2 (0.55) ALDH1A1LMNAMAPTHTTHSD17B10
SCHEMBL10884320 0.70 ADRA2A (0.39) MAPTKMT2ACA2
SCHEMBL8003191 0.68 KMT2A (0.41) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL6706197 0.68 CYP1A2 (0.42) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL11434932 0.66 OR51E2 (0.36) CA2
SCHEMBL28897794 0.65 PTPN1 (0.32) PTPN1
SCHEMBL9173669 0.65 SENP1 (0.47) ALDH1A1LMNAMAPTKMT2AHSD17B10

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
JP-3056550-A — — None — — JP disclosed
JP-H0356550-A FLAME-RETARDANT STYRENE-BASED RESIN COMPOSITION HAVING EXCELLENT STABILITY OF UV RESISTANCE TOSOH CORP 1991-03-12 — — JP disclosed
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