SCHEMBL1919940

SCHEMBL1919940

CCCCC(CCCC)(C(=O)O)C(CC(=O)O)(OC(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
PAM P19021 2/20 0.34
HSPD1 P10809 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
FAAH O00519 1/20 0.32
GAA P10253 1/20 0.32
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
AKR1B1 P15121 1/20 0.31
CES2 O00748 1/20 0.30

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
SCHEMBL588169 0.81 ALDH1A1 (0.36) ALDH1A1PAMHSPD1BLMHSPE1
SCHEMBL25344179 0.77 PAM (0.38) ALDH1A1PAMHSPD1BLMHSPE1
SCHEMBL3381549 0.76 NAAA (0.36) PAMHSPD1BLMHSPE1FFAR1
SCHEMBL2423577 0.76 PAM (0.37) ALDH1A1PAMHSPD1BLMHSPE1
SCHEMBL2426687 0.76 PAM (0.37) PAMHSPD1BLMHSPE1TDP1
SCHEMBL1218882 0.76 ALDH1A1 (0.35) ALDH1A1HSPD1BLMHSPE1GAA
SCHEMBL7258436 0.76 PAM (0.35) ALDH1A1PAMFFAR1TDP1TSHR
SCHEMBL4731154 0.75 NAAA (0.39) PAMHSPD1BLMHSPE1FFAR1
SCHEMBL2486883 0.75 NAAA (0.39) PAMHSPD1BLMHSPE1FFAR1
SCHEMBL688123 0.75 NAAA (0.39) PAMHSPD1BLMHSPE1FFAR1

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-2326312-A1 PALIPERIDONE COMPOSITION COMPRISING SOLID MATRIX PARTICLES KRKA, D.D., Novo Mesto (SI) 2011-06-01 EP disclosed
WO-2010009900-A1 PALIPERIDONE COMPOSITION COMPRISING SOLID MATRIX PARTICLES KRKA, D.D. NOVO MESTO (SI) 2010-01-28 WO disclosed