SCHEMBL16144992

SCHEMBL16144992

N=C(N)NCCCC(NC(=O)c1cc(O)c(O)c(O)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALPL P05186 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALPI P09923 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALPG P10696 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CA2 P00918 5/20 0.42
▸ C3AR1 Q16581 3/20 0.41
▸ FOLH1 Q04609 6/20 0.40

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
SCHEMBL16144999 1.00 KDM4E (0.42) KDM4ENSD2ALDH1A1LMNAALPL
SCHEMBL23950746 0.84 FOLH1 (0.50) CA2C3AR1FOLH1CA1
SCHEMBL7925397 0.83 C3AR1 (0.52) CA2C3AR1FOLH1CA1
SCHEMBL188590 0.83 C3AR1 (0.52) CA2C3AR1FOLH1CA1
SCHEMBL188589 0.83 C3AR1 (0.52) CA2C3AR1FOLH1CA1
SCHEMBL15058869 0.81 FOLH1 (0.50) KDM4ENSD2ALDH1A1LMNAALPL
SCHEMBL15058868 0.81 FOLH1 (0.50) KDM4ENSD2ALDH1A1LMNAALPL
SCHEMBL247240 0.81 NPY4R (0.42) GRNSORT1
SCHEMBL25158952 0.81 FOLH1 (0.48) CA2C3AR1FOLH1CA1
SCHEMBL5892488 0.81 FOLH1 (0.48) CA2C3AR1FOLH1CA1

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
EP-2794835-B1 WASHING AND CLEANING COMPOSITIONS WITH IMPROVED PERFORMANCE HENKEL AG & CO KGAA (DE) 2017-02-08 — — EP disclosed
US-20140303064-A1 WASHING AND CLEANING COMPOSITIONS WITH IMPROVED PERFORMANCE HENKEL AG & CO. KGAA (DE) 2014-10-09 — — US disclosed
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