SCHEMBL7764172

SCHEMBL7764172

C=CCCNCC=CCOc1ccc(C(=O)C=CCCCCCCCCCCNCCC=C)cc1F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TRPV1 Q8NER1 1/20 0.32
GPR52 Q9Y2T5 1/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
MEN1 O00255 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7772085 0.83 KDM4E (0.34) KDM4ELMNAALDH1A1NPC1RAB9A
SCHEMBL7769584 0.82 LTA4H (0.35) KDM4ELMNATHRATHRB
SCHEMBL7769001 0.80 THRA (0.39) KDM4ELMNATRPV1THRATHRB
SCHEMBL8047273 0.79 IL2 (0.35) KDM4EALDH1A1
SCHEMBL8035846 0.79 LSS (0.43) KDM4ELMNAALDH1A1KMT2ANPC1
SCHEMBL7769135 0.78 PTGES (0.36) KDM4EALDH1A1TRPV1
SCHEMBL7677366 0.75 LSS (0.46) KMT2AMEN1
SCHEMBL7772100 0.75 KDM4E (0.33) KDM4ELMNA
SCHEMBL7677372 0.75 LSS (0.46) KMT2AMEN1
SCHEMBL8047705 0.74 PPARD (0.38) KDM4ELMNAALDH1A1NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP claimed