SCHEMBL697530

SCHEMBL697530

Cc1cccc(C(C)c2nccn2CC(CC(=O)O)C2CCCC2)c1C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.37
IDH1 O75874 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PTGES O14684 5/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL697528 0.80 IDH1 (0.34) IDH1SMN1; SMN2
SCHEMBL1573428 0.79 APAF1 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL4008767 0.77 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1FFAR1
SCHEMBL1574142 0.77 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1
SCHEMBL1573270 0.76 KMT2A (0.38) SMN1; SMN2ALDH1A1PTGES
SCHEMBL696567 0.76 IDH1 (0.42) IDH1
SCHEMBL4014276 0.75 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1FFAR1
SCHEMBL1573396 0.74 ITGB3 (0.37) SMN1; SMN2ALDH1A1PTGES
SCHEMBL696942 0.74 LDHA (0.38) ALDH1A1
SCHEMBL4007502 0.74 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1FFAR1

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
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed