SCHEMBL4845162

SCHEMBL4845162

Cc1cccc(COCCCCNc2ccc3ccccc3n2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
WNT3A P56704 3/20 0.40
HTR1A P08908 3/20 0.39
DRD2 P14416 2/20 0.39
ADRA1A P35348 2/20 0.39
DRD3 P35462 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL4849425 0.97 SMN1; SMN2 (0.43) NOTUMMAPTSMN1; SMN2ALDH1A1ATM
SCHEMBL4843277 0.91 NOTUM (0.41) NOTUMMAPTSMN1; SMN2ALDH1A1ATM
SCHEMBL4843095 0.88 MAPT (0.43) NOTUMMAPTSMN1; SMN2ALDH1A1ATM
SCHEMBL4848359 0.84 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4850064 0.83 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4880708 0.82 ALDH1A1 (0.47) NOTUMMAPTSMN1; SMN2ALDH1A1ATM
SCHEMBL4841446 0.82 CYSLTR1 (0.47) CYSLTR1GPBAR1CYSLTR2
SCHEMBL4850038 0.81 MAPT (0.37) NOTUMMAPTSMN1; SMN2ALDH1A1ATM
SCHEMBL14021730 0.81 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1ATML3MBTL1
SCHEMBL14021731 0.81 ALDH1A1 (0.47) NOTUMMAPTSMN1; SMN2ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-6635655-B1 Agonists or antagonists of peroxisome proliferator-activated receptors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-10-21 US disclosed