SCHEMBL7689870

SCHEMBL7689870

CCCC[N]C(=O)OCCC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.39
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
ACHE P22303 5/20 0.36
TSHR P16473 3/20 0.36
HCAR2 Q8TDS4 2/20 0.36
HPGD P15428 1/20 0.36
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL7687967 0.94 NAAA (0.41) ALDH1A1ATMNAAADGKAACHE
SCHEMBL7685646 0.92 NAAA (0.44) ALDH1A1NAAADGKATSHRHCAR2
SCHEMBL7691818 0.89 NAAA (0.50) ALDH1A1ATMNAAAACHETSHR
SCHEMBL7692519 0.88 NAAA (0.53) ALDH1A1NAAADGKAACHETSHR
SCHEMBL5700187 0.86 HCAR2 (0.39) ALDH1A1ATMNAAADGKAACHE
SCHEMBL1566316 0.85 NAAA (0.50) ALDH1A1ATMNAAAACHETSHR
SCHEMBL7693487 0.85 ALDH1A1 (0.50) ALDH1A1ATMNAAADGKATSHR
SCHEMBL7686442 0.84 ALDH1A1 (0.40) ALDH1A1ATMNAAADGKAACHE
SCHEMBL7689067 0.83 NAAA (0.53) ALDH1A1NAAADGKAACHETSHR
SCHEMBL7693494 0.83 NAAA (0.53) ALDH1A1NAAADGKAACHETSHR

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed