SCHEMBL4554564

SCHEMBL4554564

[C]SN(CCCC)CC(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30

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
SCHEMBL4554566 0.80 ALDH1A1 (0.31) ALDH1A1ALDH2
SCHEMBL6631021 0.77
SCHEMBL13309417 0.70 PLA2G1B (0.43) PLA2G1BPLA2G2A
SCHEMBL7546073 0.70 DNM1 (0.40)
SCHEMBL1099979 0.69 MAPK1 (0.39) PLA2G1BPLA2G2AALDH1A1ALDH2
SCHEMBL2566590 0.69 MAPK1 (0.39) PLA2G1BPLA2G2AALDH1A1ALDH2
SCHEMBL16053553 0.67 MAPK1 (0.37) PLA2G1BPLA2G2A
SCHEMBL723253 0.67 PLA2G1B (0.31) PLA2G1BPLA2G2AALDH1A1ALDH2
SCHEMBL2966567 0.67 PIK3CD (0.50) PLA2G1BPLA2G2A
SCHEMBL11527879 0.65 AOC3 (0.44) PLA2G1BPLA2G2A

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