SCHEMBL6509544

SCHEMBL6509544

CC(C)C(NCc1ccc(-c2ccccc2C#N)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.48
ITGB1 P05556 2/20 0.47
ITGA4 P13612 1/20 0.47
MYC P01106 1/20 0.47
WDR5 P61964 1/20 0.47
ADAM17 P78536 1/20 0.46
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
PTPN1 P18031 1/20 0.46
ESR2 Q92731 1/20 0.44
ADAMTS4 O75173 4/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GRIA2 P42262 1/20 0.42
GRIA4 P48058 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA5 P08648 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL1696979 1.00 MME (0.48) MMEITGB1ITGA4MYCWDR5
Hydrochloric Acid SCHEMBL25430455 0.99 MME (0.47) MMEITGB1ITGA4MYCWDR5
SCHEMBL2432 0.88 MYC (0.45) MMEITGB1ITGA4MYCWDR5
SCHEMBL8065614 0.88 MYC (0.45) MMEITGB1ITGA4MYCWDR5
SCHEMBL2174 0.88 MYC (0.45) MMEITGB1ITGA4MYCWDR5
SCHEMBL14544670 0.88 MME (0.50) MMEITGB1ITGA4MYCWDR5
Oxalic Acid SCHEMBL1616541 0.88 MME (0.44) MMEITGB1ITGA4MYCWDR5
Hydrochloric Acid SCHEMBL15663201 0.87 MYC (0.45) MMEITGB1ITGA4MYCWDR5
Hydrochloric Acid SCHEMBL3526296 0.87 MYC (0.45) MMEITGB1ITGA4MYCWDR5
SCHEMBL14004740 0.87 FFAR1 (0.48) MMEITGB1ITGA4MYCWDR5

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-2005049586-A1 PROCESS FOR PRODUCTION OF (S) -N-PENTANOYL-N-[[2’-(1H-TETRAZOLE-5YL) [1,1’-BIPHENYL]-4-YL]METHYL]-L-VALINE BELUPO-LIJEKOVI KOZMETIKA D.D. (HR) 2005-06-02 WO disclosed