SCHEMBL3923629

SCHEMBL3923629

CCN(CC)CCCC(C)N(CC(C)O)CC(C)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.34
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 1/20 0.32
LMNA P02545 1/20 0.32
CACNA2D1 P54289 6/20 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
SCHEMBL3928961 0.83 SIGMAR1 (0.33) SIGMAR1PLA2G1BPLA2G2ALMNACACNA2D1
SCHEMBL557630 0.79 SIGMAR1 (0.41) SIGMAR1PLA2G1BPLA2G2ALMNACACNA2D1
SCHEMBL2845490 0.78 SIGMAR1 (0.35) SIGMAR1LMNACACNA2D1
SCHEMBL18207967 0.77 SIGMAR1 (0.35) SIGMAR1PLA2G1BPLA2G2A
SCHEMBL3922986 0.77 SIGMAR1 (0.35) SIGMAR1PLA2G1BPLA2G2ALMNA
SCHEMBL16752022 0.77 TSHR (0.35)
SCHEMBL3921738 0.77 SIGMAR1 (0.35) SIGMAR1PLA2G1BPLA2G2ALMNA
SCHEMBL2846589 0.77 SIGMAR1 (0.34) SIGMAR1LMNACACNA2D1
SCHEMBL2845488 0.76 LMNA (0.36) SIGMAR1LMNACACNA2D1
SCHEMBL14356493 0.76 SPHK1 (0.45) PLA2G1BPLA2G2ALMNA

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 3 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
EP-1312630-A1 Process for the production of flexible polyurethane foams Tosoh Corporation (JP) 2003-05-21 EP disclosed