SCHEMBL4554566

SCHEMBL4554566

CCCCN(CC(C)C)SC

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31

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
SCHEMBL4554564 0.80 PLA2G1B (0.31) ALDH1A1ALDH2
SCHEMBL11272483 0.80 ALDH1A1 (0.39) ALDH1A1ALDH2
SCHEMBL25083392 0.77 CA12 (0.32)
SCHEMBL6631025 0.75
SCHEMBL1099979 0.70 MAPK1 (0.39) ALDH1A1ALDH2
SCHEMBL2566590 0.70 MAPK1 (0.39) ALDH1A1ALDH2
SCHEMBL22904087 0.69 DNM1 (0.42) ALDH1A1ALDH2
SCHEMBL723253 0.69 PLA2G1B (0.31) ALDH1A1ALDH2
SCHEMBL2966567 0.69 PIK3CD (0.50)
SCHEMBL16053553 0.69 MAPK1 (0.37)

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-2121583-A1 HETEROARYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2009-11-25 EP disclosed
WO-2008084073-A1 HETEROARYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2008-07-17 WO disclosed