SCHEMBL3701718

SCHEMBL3701718

CCC(C)(Sc1cccc(NC(=O)C(c2ccc(CN3N=C(c4ccccc4)OCC3=O)cc2)C2CCCC2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.40
HTR1E P28566 3/20 0.38
S1PR3 Q99500 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
MAOB P27338 2/20 0.35
PTGS2 P35354 8/20 0.34

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
SCHEMBL1193183 0.93 PTGES (0.41) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL1177363 0.89 PTGES (0.40) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL3693647 0.88 MAOB (0.35) KMT2AMAPTMAOB
SCHEMBL3701720 0.87 PTGES (0.41) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL12871724 0.86 PTGES (0.41) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL1178131 0.86 PTGES (0.42) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL1193786 0.86 PTGES (0.43) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL1195138 0.86 PTGES (0.44) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL1178961 0.86 PTGES (0.46) PTGESHTR1ES1PR3MEN1LMNA
SCHEMBL3700366 0.85 PTGES (0.42) PTGESHTR1ES1PR3MEN1LMNA

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-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed