SCHEMBL5700968

SCHEMBL5700968

CCC(C)OC(=O)CC(CC(=O)O)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
FFAR1 O14842 3/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GABBR2 O75899 4/20 0.40
GABBR1 Q9UBS5 4/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD3 P35462 1/20 0.40
BLM P54132 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5701034 0.81 ALDH1A1 (0.58) GAAFFAR1POLBSMN1; SMN2TDP1
SCHEMBL2386276 0.80 GABBR2 (0.57) GAAFFAR1POLBSMN1; SMN2TDP1
SCHEMBL5700957 0.74 ALDH1A1 (0.64) GAASMN1; SMN2LMNACYP2C9TSHR
SCHEMBL5701026 0.74 ALDH1A1 (0.51) POLBSMN1; SMN2TDP1LMNACYP3A4
SCHEMBL4281827 0.72 MAPT (0.43) POLBSMN1; SMN2TDP1LMNACYP2C9
SCHEMBL28628025 0.71 FFAR1 (0.59) GAAFFAR1GABBR2GABBR1LMNA
SCHEMBL16249736 0.71 GABBR2 (0.61) GAAFFAR1GABBR2GABBR1LMNA
SCHEMBL4025536 0.70 SLC22A6 (0.52) SMN1; SMN2LMNAMAPT
SCHEMBL5691981 0.70 FFAR1 (0.59) FFAR1POLBSMN1; SMN2TDP1GABBR2
SCHEMBL5691985 0.70 FFAR1 (0.59) FFAR1POLBSMN1; SMN2TDP1GABBR2

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
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
EP-1027328-A1 SUBSTITUTED ANILIDES Aventis Pharma Limited (GB) 2000-08-16 EP disclosed
WO-1999023063-A1 SUBSTITUTED ANILIDES AVENTIS PHARMA LIMITED (GB) 1999-05-14 WO disclosed