SCHEMBL7750347

SCHEMBL7750347

CCCCCCCc1ccc(-c2ncc(-c3ccc(OCCCCCCCC4CCCC4)cc3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
USP2 O75604 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 4/20 0.46
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
RARB P10826 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7751446 1.00 RAB9A (0.50) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7750365 0.94 RAB9A (0.52) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7745528 0.94 RAB9A (0.52) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7750474 0.94 RAB9A (0.52) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7750025 0.94 RARB (0.49) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7750086 0.94 RAB9A (0.52) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7752679 0.94 RAB9A (0.52) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7751347 0.94 RAB9A (0.52) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7745561 0.94 RAB9A (0.52) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL7750414 0.94 RARB (0.49) RAB9ASMN1; SMN2MAPTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821049-B1 Cyclopentyl compounds ROLIC AG (CH) 2001-01-10 EP disclosed
US-5759443-A Cyclopentyl derivatives ROLIC AG (CH) 1998-06-02 US disclosed
EP-0821049-A1 Cyclopentyl compounds Rolic AG (CH) 1998-01-28 EP disclosed