SCHEMBL5843487

SCHEMBL5843487

COC1=C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C(=O)c2cc(C)cc(C)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ ELANE P08246 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ ACLY P53396 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33

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
SCHEMBL6939858 0.95 ALDH1A1 (0.37) ALDH1A1ELANEKDM4EGLAMAPT
SCHEMBL3690041 0.88 PTPN1 (0.42) ALDH1A1ELANEKDM4EGLAMAPT
SCHEMBL3753074 0.83 PTPN1 (0.42) ALDH1A1ELANEKDM4EGLAMAPT
SCHEMBL6835172 0.83 ELANE (0.37) ALDH1A1ELANEMAPTHSP90AA1CA2
SCHEMBL3694663 0.75 CA2 (0.46) ALDH1A1ELANEKDM4EGLAMAPT
SCHEMBL3699504 0.74 PTPN1 (0.48) ALDH1A1ELANEMAPTHSP90AA1CA2
SCHEMBL3696268 0.73 CA2 (0.46) ALDH1A1ELANEKDM4EGLAMAPT
SCHEMBL3693163 0.71 CA2 (0.44) ALDH1A1MAPTCA2CA1POLB
SCHEMBL16014947 0.71 CA2 (0.46) ALDH1A1HPGDALOX15HSP90AA1CA2
SCHEMBL3705362 0.71 PTPN1 (0.41) ALDH1A1ELANEMAPTHSP90AA1CA2

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-7118868-B2 Method for detecting cytosine methylations EPIGENOMICS AG (DE) 2006-10-10 — — US disclosed
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