SCHEMBL3924474

SCHEMBL3924474

CCN(CC)CCCCCCN(CC)CC(C)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
PLA2G1B P04054 1/20 0.36
PLA2G2A P14555 1/20 0.36
PAOX Q6QHF9 1/20 0.35
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNH2 Q12809 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CACNA1F O60840 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 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
SCHEMBL4760252 0.98 PLA2G1B (0.38) SIGMAR1PLA2G1BPLA2G2APAOXHRH4
SCHEMBL3919959 0.95 SIGMAR1 (0.38) SIGMAR1PLA2G1BPLA2G2APAOXHRH4
SCHEMBL3921738 0.93 SIGMAR1 (0.35) SIGMAR1PLA2G1BPLA2G2APAOXHRH3
SCHEMBL18207967 0.88 SIGMAR1 (0.35) SIGMAR1PLA2G1BPLA2G2APAOXHRH3
SCHEMBL3922986 0.88 SIGMAR1 (0.35) SIGMAR1PLA2G1BPLA2G2APAOXHRH3
SCHEMBL3929227 0.86 SIGMAR1 (0.34) SIGMAR1PLA2G1BPLA2G2APAOXALDH1A1
SCHEMBL973693 0.85 KDM4E (0.35) ALDH1A1TSHRKDM4EKMT2A
SCHEMBL11415551 0.85 TSHR (0.40) PLA2G1BPLA2G2AALDH1A1TSHRKDM4E
SCHEMBL30799893 0.85 KDM4E (0.35) ALDH1A1TSHRKDM4EKMT2A
SCHEMBL20996696 0.84 TDP1 (0.32) PLA2G1BPLA2G2APAOXALDH1A1TSHR

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