SCHEMBL8749095

SCHEMBL8749095

CCCCCc1ccc(-c2ncc(-c3ccc(OCCCCOCCC)cc3)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ USP2 O75604 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ NPC1 O15118 4/20 0.53
▸ CYP3A4 P08684 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ SLCO1B3 Q9NPD5 1/20 0.52
▸ SLCO1B1 Q9Y6L6 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ RARB P10826 6/20 0.46

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
SCHEMBL8748678 1.00 RAB9A (0.54) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL8748800 0.97 RAB9A (0.57) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL8748493 0.97 RAB9A (0.57) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL10350460 0.94 RAB9A (0.61) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL6885139 0.94 RAB9A (0.61) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL8748683 0.93 RAB9A (0.54) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL8748828 0.93 RAB9A (0.54) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL9435108 0.92 RAB9A (0.63) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL9330924 0.92 RAB9A (0.63) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL9435151 0.92 RAB9A (0.63) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1

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-0754685-A2 Derivatives from alkoxyalkoxy substituted nitrogen containing hetero rings Rolic AG (CH) 1997-01-22 — — EP disclosed
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