SCHEMBL9811686

SCHEMBL9811686

COc1cc(OCc2ccccc2)ccc1OCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
POLB P06746 1/20 0.60
PPARD Q03181 6/20 0.58
PPARG P37231 1/20 0.58
FFAR1 O14842 8/20 0.58
NPC1 O15118 1/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.56
ELANE P08246 1/20 0.55
CTSG P08311 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL9797681 0.94 SMN1; SMN2 (0.60) SMN1; SMN2POLBPPARDPPARGNPC1
SCHEMBL7909009 0.90 PPARD (0.59) PPARDPPARGFFAR1ELANE
SCHEMBL18623122 0.87 MAOB (0.62) SMN1; SMN2NPC1HPGDRAB9AMEN1
SCHEMBL25685569 0.84 POLB (0.64) SMN1; SMN2POLBPPARDFFAR1ELANE
SCHEMBL19712578 0.83 MAOB (0.55) SMN1; SMN2POLBNPC1HPGDRAB9A
SCHEMBL29184830 0.83 MAOB (0.70) SMN1; SMN2PPARDPPARGFFAR1
SCHEMBL3176485 0.82 LMNA (0.62) SMN1; SMN2POLBMEN1KMT2A
SCHEMBL9749418 0.81 MAOB (0.59) SMN1; SMN2PPARDPPARGFFAR1NPC1
SCHEMBL25196656 0.81 MAOB (0.69) POLBNPC1HPGDRAB9AMEN1
SCHEMBL9811660 0.81 HPGD (0.57) SMN1; SMN2POLBNPC1HPGDRAB9A

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-5064861-A ACYLATED AMINE COMPOUNDS WHICH ARE USEFUL FUNGICIGAL AGENTS ROUSSEL UCLAF (FR) 1991-11-12 US disclosed