SCHEMBL16404991

SCHEMBL16404991

COC(=O)CCCNC(=O)CCC(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 13/20 0.56
▸ WNT3A P56704 8/20 0.56
▸ HPGD P15428 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ ATM Q13315 1/20 0.51

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
SCHEMBL16404992 0.87 PKM (0.71) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL21753281 0.79 PKM (0.65) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL13516975 0.78 MEN1 (0.83) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL653025 0.78 PKM (0.87) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL21770322 0.77 HPGD (0.55) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL652035 0.75 CTNNB1 (0.78) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL17033396 0.74 HPGD (0.70) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL5311636 0.73 CTNNB1 (0.53) CTNNB1WNT3AHPGDMEN1KMT2A
SCHEMBL10027736 0.73 CTNNB1 (1.00) CTNNB1WNT3AHPGDPKMTSHR
SCHEMBL27611333 0.73 HPGD (0.82) CTNNB1WNT3AHPGDPKMTSHR

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
EP-2656072-B1 MULTI-ANALYTE MICROARRAYS USING TAG-SPECIFIC ANTIBODIES AND TAG-ANCHORED ANTIBODIES RANDOX LAB LTD (GB) 2015-01-21 — — EP disclosed
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