SCHEMBL8748800

SCHEMBL8748800

CCCCCc1ccc(-c2cnc(-c3ccc(OCCCCOCCCC)cc3)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ USP2 O75604 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ NPC1 O15118 3/20 0.56
▸ CYP3A4 P08684 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CASP1 P29466 1/20 0.54
▸ SLCO1B3 Q9NPD5 1/20 0.54
▸ SLCO1B1 Q9Y6L6 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ RARB P10826 6/20 0.48

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
SCHEMBL8748493 1.00 RAB9A (0.57) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL8748678 0.97 RAB9A (0.54) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL8749095 0.97 RAB9A (0.54) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL6885139 0.96 RAB9A (0.61) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL10350460 0.96 RAB9A (0.61) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL8748828 0.95 RAB9A (0.54) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL8748683 0.95 RAB9A (0.54) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL9330924 0.95 RAB9A (0.63) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL9435108 0.95 RAB9A (0.63) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E
SCHEMBL9435151 0.95 RAB9A (0.63) RAB9ASMN1; SMN2MAPTHSD17B10KDM4E

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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