SCHEMBL6841055

SCHEMBL6841055

COC1=C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)c2c(C)cccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.48
▸ CA2 P00918 3/20 0.42
▸ CA1 P00915 2/20 0.42
▸ MITF O75030 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ FGFR4 P22455 1/20 0.41
▸ FGFR3 P22607 1/20 0.41
▸ ELANE P08246 2/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL3699504 0.95 PTPN1 (0.48) PTPN1CA2CA1MITFALDH1A1
SCHEMBL3700187 0.87 CA2 (0.43) PTPN1CA2CA1MITFALDH1A1
SCHEMBL3692462 0.86 PTPN1 (0.41) PTPN1CA2CA1MITFALDH1A1
SCHEMBL3695064 0.86 PTPN1 (0.51) PTPN1CA2CA1ALDH1A1MAPT
SCHEMBL3753074 0.85 PTPN1 (0.42) PTPN1CA2CA1MITFALDH1A1
SCHEMBL3692501 0.84 MAPT (0.59) PTPN1CA2CA1MITFALDH1A1
SCHEMBL3699478 0.83 PTPN1 (0.51) PTPN1CA2CA1ALDH1A1MAPT
SCHEMBL3693163 0.83 CA2 (0.44) PTPN1CA2CA1MITFALDH1A1
SCHEMBL3705362 0.81 PTPN1 (0.41) PTPN1CA2CA1MITFALDH1A1
SCHEMBL3690041 0.80 PTPN1 (0.42) PTPN1CA2CA1MITFALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152080-A1 Method for detecting cytosine methylations QIAGEN GMBH (DE) 2004-08-05 — — US disclosed
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