SCHEMBL6649481

SCHEMBL6649481

COc1ccc(CN(C(=O)CNC(C)=O)C(C(=O)NCC(=O)O)C(C)C)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ POLB P06746 2/20 0.40
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL6649476 1.00 KMT2A (0.46) KMT2AALDH1A1KDM4EPOLBMTNR1A
SCHEMBL997223 0.89 KMT2A (0.43) KMT2AALDH1A1KDM4EPOLBMTNR1A
SCHEMBL997225 0.89 KMT2A (0.43) KMT2AALDH1A1KDM4EPOLBMTNR1A
SCHEMBL19715986 0.73 — —
SCHEMBL10141758 0.68 APLNR (0.65) ALDH1A1POLBMTNR1AMTNR1BTSHR
SCHEMBL14229302 0.66 POLB (0.46) KMT2AALDH1A1KDM4EPOLBTSHR
SCHEMBL9781377 0.66 ALDH1A1 (0.47) KMT2AALDH1A1KDM4EPOLBTSHR
SCHEMBL6866453 0.66 APLNR (0.71) KMT2AALDH1A1POLBTSHRMEN1
SCHEMBL14521439 0.66 APLNR (0.61) ALDH1A1POLBMTNR1AMTNR1BTSHR
SCHEMBL14229439 0.66 ALDH1A1 (0.45) KMT2AALDH1A1KDM4EPOLBTSHR

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-1292608-B1 NOVEL COMPOUNDS OF THE N-ACYLAMINO-AMIDE FAMILY, COMPOSITIONS COMPRISING SAME, AND USES OREAL (FR) 2004-07-21 — — EP disclosed
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