SCHEMBL17210678

SCHEMBL17210678

N[C@H](C=O)CCC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ SLC15A1 P46059 2/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ SLC1A3 P43003 2/20 0.45
▸ SLC1A2 P43004 2/20 0.45
▸ SLC1A1 P43005 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ CDC25B P30305 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL16596492 0.84 SLC15A1 (0.55) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL6265164 0.84 SLC15A1 (0.55) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL8435134 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL22273540 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL28156051 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL627617 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL15679988 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL24235719 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL22607077 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL124384 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A

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-2660255-B1 Block copolymers for stable micelles INTEZYNE TECHNOLOGIES INC (US) 2015-10-28 — — EP disclosed
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