SCHEMBL9402810

SCHEMBL9402810

COC(=O)c1cc(OCCCCCCCCCCCCOc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
LRRK2 Q5S007 2/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9402524 0.94 HDAC3 (0.52) NPC1KDM4EMEN1LMNAKMT2A
SCHEMBL9402875 0.93 PTPN11 (0.54) LRRK2
SCHEMBL9402538 0.93 PTPN11 (0.54) LRRK2
SCHEMBL9402671 0.93 PTPN11 (0.54) LRRK2
SCHEMBL9324880 0.90 PTPN11 (0.51) NPC1KDM4EMEN1LMNAKMT2A
SCHEMBL11563262 0.90 MAOB (0.56) NPC1KDM4ELMNARAB9ALRRK2
SCHEMBL9402635 0.87 FOLH1 (0.59) NPC1KDM4ERAB9AHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL9402840 0.86 FOLH1 (0.58) NPC1KDM4ERAB9AHTTSMN1; SMN2
SCHEMBL9402836 0.85 MGLL (0.48) NPC1KDM4ERAB9AHTTSMN1; SMN2
SCHEMBL22438874 0.84 PTPN11 (0.55)

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
US-5298652-A N-substituted glycines, inhibitors of phospholipase A2 HOFFMANN-LA ROCHE INC. (US) 1994-03-29 US disclosed