SCHEMBL5215743

SCHEMBL5215743

COC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1OC)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
GAA P10253 1/20 0.61
ITGA4 P13612 1/20 0.56
ITGB7 P26010 1/20 0.56
OPRK1 P41145 6/20 0.54
ATM Q13315 1/20 0.49
FPR2 P25090 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALOX15 P16050 1/20 0.46

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
SCHEMBL7390734 0.95 ALDH1A1 (0.67) ALDH1A1GAAITGA4ITGB7OPRK1
SCHEMBL5215651 0.95 ALDH1A1 (0.67) ALDH1A1GAAITGA4ITGB7OPRK1
Hydrochloric Acid SCHEMBL7408488 0.88 ITGA4 (0.71) ALDH1A1GAAITGA4ITGB7OPRK1
Hydrochloric Acid SCHEMBL7454715 0.88 ITGA4 (0.71) ALDH1A1GAAITGA4ITGB7OPRK1
SCHEMBL3739594 0.88 ATM (0.60) ALDH1A1GAAATMFPR2THRB
Hydrochloric Acid SCHEMBL7225746 0.86 ATM (0.58) ALDH1A1GAAATMFPR2THRB
SCHEMBL6375429 0.80 ITGA4 (0.73) ALDH1A1GAAITGA4ITGB7ATM
SCHEMBL6375427 0.80 ITGA4 (0.73) ALDH1A1GAAITGA4ITGB7ATM
SCHEMBL28067051 0.80 ATM (0.55) ALDH1A1GAAATMTHRBCYP2C9
SCHEMBL22444688 0.79 ALDH1A1 (0.56) ALDH1A1GAAITGA4ITGB7CYP2C9

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-1276732-B1 AMIDES OF R-2-(AMINOARYL)-PROPIONIC ACIDS FOR USE IN THEPREVENTION OF LEUCOCYTE ACTIVATION\ DOMPE PHA R MA SPA RES & MFG (IT) 2007-09-26 EP disclosed