SCHEMBL9439940

SCHEMBL9439940

O=C(O)c1c(Br)cc(/C=C/c2cc(Br)c(C(=O)O)c(Br)c2)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.53
▸ PTPN2 P17706 3/20 0.53
▸ PTPN6 P29350 3/20 0.53
▸ APP P05067 4/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TTR P02766 2/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ EIF2AK2 P19525 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ CA12 O43570 1/20 0.35

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
SCHEMBL9439942 1.00 PTPN1 (0.53) PTPN1PTPN2PTPN6APPTRPA1
SCHEMBL1884074 0.77 AKR1C3 (0.54) KDM4ETTRAKR1C3AKR1C2CA12
SCHEMBL5560892 0.75 TTR (0.65) KDM4ETTRCA12CA1CA2
SCHEMBL901061 0.75 CYP3A4 (0.46) PTPN1TTRAKR1C3AKR1C2PTGS2
SCHEMBL11580777 0.74 CA1 (0.38) TTRAKR1C3AKR1C2CA12CA1
SCHEMBL8827305 0.74 RARG (0.39) KDM4ETTRPTGS2NPC1MTOR
SCHEMBL8827313 0.74 RARG (0.39) KDM4ETTRPTGS2NPC1MTOR
SCHEMBL900864 0.73 MAPT (0.48) PTPN1KDM4EGAATTRAKR1C3
SCHEMBL27186159 0.73 MCL1 (0.48) TTRAKR1C3AKR1C2CA1CA2
SCHEMBL11336146 0.73 TPMT (0.48) KDM4ETTR

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-5364912-A Anisotropic melts, reaction of glycidyl ester of dicarboxylic acid and diol or dicarboxylic acid THE DOW CHEMICAL COMPANY (US) 1994-11-15 — — US disclosed
EP-0475238-A2 Mesogenic glycidyl esters THE DOW CHEMICAL COMPANY (US) 1992-03-18 — — EP disclosed
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