SCHEMBL12662924

SCHEMBL12662924

C=C(C(=O)NCc1cc(C(C)(C)c2ccccc2)c(O)c(C(C)(C)c2ccccc2)c1)C(C)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CCR2 P41597 5/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TACR1 P25103 2/20 0.36
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TXNRD1 Q16881 1/20 0.34
▸ ERCC1 P07992 1/20 0.34
▸ ERCC4 Q92889 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 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
SCHEMBL12651095 0.84 GAA (0.39) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11339375 0.67 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4330346 0.67 GAA (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11556141 0.66 PTPN1 (0.52) ALDH1A1MEN1KMT2AGAA
SCHEMBL11284915 0.65 PTPN1 (0.54) ALDH1A1MEN1KMT2AGAA
SCHEMBL1276281 0.65 ESR1 (0.57) ALDH1A1CNR1CNR2
SCHEMBL30255512 0.64 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL26071953 0.64 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9252477 0.64 PTPN1 (0.42) ALDH1A1MEN1KMT2AGAA
SCHEMBL8369674 0.63 TSHR (0.44) ALDH1A1SMN1; SMN2CNR1CNR2

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-2325270-A1 Curable liquids and inks for toys and food packaging applications Agfa Graphics N.V. (BE) 2011-05-25 — — EP disclosed
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