SCHEMBL3919951

SCHEMBL3919951

CCCCCC(N(CC)CC)N(CC(C)O)CC(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 3/20 0.44
PLA2G2A P14555 1/20 0.44
SPHK1 Q9NYA1 2/20 0.42
PSMD14 O00487 2/20 0.39
MMP2 P08253 2/20 0.39
ATG4B Q9Y4P1 2/20 0.39
HSP90AA1 P07900 1/20 0.39
RAD52 P43351 1/20 0.39
GPR84 Q9NQS5 7/20 0.38
FFAR1 O14842 1/20 0.38
LMNA P02545 2/20 0.38
CYP2D6 P10635 2/20 0.36
GMNN O75496 1/20 0.36
POLB P06746 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3924470 0.96 PLA2G1B (0.44) PLA2G1BPLA2G2ASPHK1PSMD14MMP2
SCHEMBL3923171 0.85 SPHK1 (0.42) PLA2G1BPLA2G2ASPHK1PSMD14MMP2
SCHEMBL18315362 0.83 PLA2G1B (0.52) PLA2G1BPLA2G2ASPHK1GPR84FFAR1
SCHEMBL6455804 0.83 PLA2G1B (0.52) PLA2G1BPLA2G2ASPHK1GPR84FFAR1
SCHEMBL4189025 0.83 PLA2G1B (0.52) PLA2G1BPLA2G2ASPHK1GPR84FFAR1
SCHEMBL14356493 0.80 SPHK1 (0.45) PLA2G1BPLA2G2ASPHK1GPR84FFAR1
SCHEMBL2839149 0.78 SPHK1 (0.44) PLA2G1BPLA2G2ASPHK1GPR84FFAR1
SCHEMBL3922982 0.77 TSHR (0.41)
SCHEMBL3924037 0.77 SPHK1 (0.42) PLA2G1BPLA2G2ASPHK1GPR84FFAR1
SCHEMBL6447998 0.76 DNM1 (0.46) PLA2G1BPLA2G2ALMNACYP3A4

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
US-7572837-B2 Process for the production of flexible polyurethane foams TOSOH CORPORATION (JP) 2009-08-11 US disclosed
US-20030144371-A1 Catalyzing the copolymerization in presence of imidazole compounds, free of tin comound, forming polyetherurethane copolymers TOSOH CORPORATION (JP) 2003-07-31 US disclosed