SCHEMBL5224258

SCHEMBL5224258

CCCCOC(=O)NC(C(=O)O)C(CC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.46
CTSK P43235 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
FAAH O00519 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 2/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CASP1 P29466 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL7610217 0.89 LMNA (0.50) SMN1; SMN2RAB9ANPC1LMNACTSK
SCHEMBL6249252 0.86 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1LMNAPOLB
SCHEMBL9828880 0.85 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1LMNAPOLB
SCHEMBL9829421 0.85 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1LMNAPOLB
SCHEMBL9829428 0.85 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1LMNAPOLB
SCHEMBL3663781 0.85 SMN1; SMN2 (0.52) SMN1; SMN2RAB9ANPC1LMNAPOLB
SCHEMBL1461981 0.81 ATM (0.60) SMN1; SMN2RAB9ANPC1LMNAPOLB
SCHEMBL11491274 0.81 ATM (0.60) SMN1; SMN2RAB9ANPC1LMNAPOLB
SCHEMBL13387483 0.80 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1LMNAPOLB
SCHEMBL13506655 0.80 NPSR1 (0.58) SMN1; SMN2RAB9ANPC1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781649-A2 SUBSTITUTED HYDANTOINS F. Hoffmann-Roche AG (CH) 2007-05-09 EP disclosed
WO-2006018188-A2 SUBSTITUTED HYDANTOINS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-23 WO disclosed