SCHEMBL14068482

SCHEMBL14068482

COc1cc(C)c(Cl)cc1NC(=O)Cn1c(=O)n(CC(=O)N[C@H]2CCC[C@@H]2O)c(=O)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 14/20 0.64
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 2/20 0.52

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
SCHEMBL3315118 0.94 S1PR2 (0.74) S1PR2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL14068491 0.89 S1PR2 (0.71) S1PR2ALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL14068349 0.89 S1PR2 (0.73) S1PR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL3312182 0.85 S1PR2 (0.68) S1PR2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL14068487 0.85 S1PR2 (0.75) S1PR2MAPT
SCHEMBL14068366 0.85 S1PR2 (0.70) S1PR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL14068357 0.83 S1PR2 (0.61) S1PR2ALDH1A1SMN1; SMN2MAPT
SCHEMBL14068488 0.83 ALDH1A1 (0.65) S1PR2ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3312852 0.83 S1PR2 (0.80) S1PR2SMN1; SMN2TSHRKMT2A
SCHEMBL14068353 0.83 S1PR2 (0.71) S1PR2MAPT

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-2008107436-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2008-09-12 WO disclosed