SCHEMBL9069946

SCHEMBL9069946

CCCCCCCCCCCCCCCCCC(N)(CCOCC)CCOCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.39
FDPS P14324 2/20 0.38
THRB P10828 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
TNNC1 P63316 5/20 0.33
SGPL1 O95470 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
GPR183 P32249 1/20 0.33
CERS2 Q96G23 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL2870110 0.82 SMPD1 (0.50) SMPD1FDPSTHRBTSHRMEN1
SCHEMBL333128 0.82 SMPD1 (0.50) SMPD1FDPSTHRBTSHRMEN1
SCHEMBL640735 0.82 SMPD1 (0.50) SMPD1FDPSTHRBTSHRMEN1
SCHEMBL868284 0.82 SMPD1 (0.50) SMPD1FDPSTHRBTSHRMEN1
SCHEMBL8403723 0.82 SMPD1 (0.50) SMPD1FDPSTHRBTSHRMEN1
SCHEMBL332048 0.82 SMPD1 (0.50) SMPD1FDPSTHRBTSHRMEN1
SCHEMBL242456 0.82 SMPD1 (0.50) SMPD1FDPSTHRBTSHRMEN1
SCHEMBL7648793 0.82 SMPD1 (0.50) SMPD1FDPSTHRBTSHRMEN1
SCHEMBL2868221 0.82 SMPD1 (0.50) SMPD1FDPSTHRBTSHRMEN1
SCHEMBL2865214 0.82 SMPD1 (0.50) SMPD1FDPSTHRBTSHRMEN1

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
WO-1996038499-A1 AMINE CONTAINING ANTIOXIDANTS FOR POLYMERS PAXON POLYMER COMPANY, L.P. II (US) 1996-12-05 WO claimed
WO-1996038499-A1 AMINE CONTAINING ANTIOXIDANTS FOR POLYMERS PAXON POLYMER COMPANY, L.P. II (US) 1996-12-05 WO disclosed