SCHEMBL7751389

SCHEMBL7751389

CCCCCCc1ccc(-c2cnc(-c3ccc(OCCCCCC4CCCC4)cc3)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
S1PR4 O95977 4/20 0.41
S1PR1 P21453 4/20 0.41
S1PR3 Q99500 4/20 0.41
S1PR5 Q9H228 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL7751355 1.00 RAB9A (0.41) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8540796 0.92 RAB9A (0.46) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL7749992 0.89 CYP3A4 (0.44) RAB9AALDH1A1SMN1; SMN2NPC1LMNA
SCHEMBL8769198 0.88 RAB9A (0.51) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8884758 0.88 RAB9A (0.51) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL7751486 0.88 RAB9A (0.50) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8546717 0.85 HPGD (0.44) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8548170 0.84 ALDH1A1 (0.45) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8547071 0.84 LTA4H (0.48) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL7750347 0.82 RAB9A (0.50) RAB9AMAPTALDH1A1SMN1; SMN2NPC1

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
CN-1184103-A Cyclopentyl derivatives ROLIC AG (CH) 1998-06-10 CN disclosed
EP-0821049-A1 Cyclopentyl compounds Rolic AG (CH) 1998-01-28 EP disclosed