SCHEMBL3263202

SCHEMBL3263202

CC1=C(C(=O)O)C(c2ccc(-c3ccccc3OC(F)(F)F)o2)C2=C(CCCC2=O)N1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPT P10636 1/20 0.55
FFAR3 O14843 10/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GPR174 Q9BXC1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
O-Tolylamine SCHEMBL5315045 0.94 FFAR3 (0.52) ALDH1A1KDM4EMAPTFFAR3SMN1; SMN2
SCHEMBL5065033 0.87 FFAR3 (0.72) KDM4EFFAR3SMN1; SMN2
SCHEMBL5315047 0.86 FFAR3 (0.60) ALDH1A1KDM4EMAPTFFAR3SMN1; SMN2
SCHEMBL5201411 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTFFAR3SMN1; SMN2
SCHEMBL15859370 0.82 FFAR3 (0.57) ALDH1A1KDM4EMAPTFFAR3SMN1; SMN2
SCHEMBL3263495 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTFFAR3SMN1; SMN2
SCHEMBL5064866 0.73 FFAR3 (0.76) KDM4EFFAR3SMN1; SMN2
SCHEMBL5202041 0.72 FFAR3 (0.76) ALDH1A1KDM4EMAPTFFAR3SMN1; SMN2
SCHEMBL5197527 0.72 FFAR3 (0.60) ALDH1A1KDM4EFFAR3SMN1; SMN2LMNA
SCHEMBL2849024 0.71 SMN1; SMN2 (0.59) ALDH1A1KDM4EFFAR3SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010030997-A1 REGULATING INTESTINAL MICROBIOTA DEPENDENT SIGNALING AS A MEANS TO MODULATE BODY FAT AND/OR WEIGHT LOSS THE WASHINGTON UNIVERSITY (US) 2010-03-18 WO disclosed