SCHEMBL6509781

SCHEMBL6509781

C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Oc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.44
KMT2A Q03164 3/20 0.44
ITGB1 P05556 8/20 0.43
ITGA4 P13612 8/20 0.43
POLB P06746 3/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGA2 P17301 1/20 0.42
ITGB7 P26010 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
CYP3A4 P08684 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL6679298 0.81 KMT2A (0.49) KMT2AITGB1ITGA4MEN1ITGA2
SCHEMBL28097863 0.80 TYK2 (0.52) KMT2AITGB1ITGA4MEN1ITGA2
SCHEMBL6509892 0.76 CNR2 (0.46) KMT2AITGB1ITGA4ALDH1A1
SCHEMBL9203029 0.70 KMT2A (0.55) KLK7KMT2APOLBMEN1L3MBTL1
SCHEMBL4154853 0.70 TYK2 (0.71) KMT2APOLBMEN1TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL6514192 0.69 TYK2 (0.51) KMT2AITGB1ITGA4POLBMEN1
SCHEMBL7563566 0.69 MAPT (0.46) ITGB1ITGA4MAPK1ALDH1A1GAA
SCHEMBL16583378 0.69 PTGS2 (0.47) KMT2AITGB1ITGA4POLBMEN1
SCHEMBL2841085 0.67 HDAC4 (0.47) KMT2AITGB1ITGA4POLBMEN1
SCHEMBL12020093 0.67 MAPT (0.48) KMT2AITGB1ITGA4POLBMEN1

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
US-6911451-B1 Phenylalanine derivatives CELLTECH R&D LIMITED (GB) 2005-06-28 US disclosed