SCHEMBL11034174

SCHEMBL11034174

C=CCC1NC(=O)C(CC(=O)O)C1CC=C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
ITGB3 P05106 1/20 0.33
ITGB2 P05107 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGB5 P18084 1/20 0.33
ITGAL P20701 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
HCAR2 Q8TDS4 2/20 0.31

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
SCHEMBL14764661 0.68 ALDH1A1 (0.42) ALDH1A1
SCHEMBL3230758 0.68 HTT (0.40) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL8252001 0.67 IDUA (0.41) ALDH1A1
SCHEMBL11019759 0.66 ALDH1A1 (0.44) ALDH1A1
SCHEMBL1029523 0.66 MAPT (0.38) ALDH1A1ITGB3ITGB2ITGB1ITGAV
SCHEMBL11055434 0.66 ALDH1A1 (0.37) ALDH1A1
SCHEMBL10857021 0.65 HTT (0.40) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL10854263 0.65 HTT (0.40) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL10853447 0.65 HTT (0.40) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL11241409 0.65 HTT (0.40) ITGB3ITGB2ITGB1ITGAVITGA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4539127-A DETERGENTS AND DISPERSANTS FOR LUBRICANTS AND GASOLINE MOBIL OIL CORPORATION (US) 1985-09-03 US disclosed
US-4329286-A Hydroxyamide acid products and butyrolactone and butyrolactam products MOBIL OIL CORPORATION (US) 1982-05-11 US disclosed
US-4190588-A FROM AN ALKENYL SUCCINIC ANHYDRIDE MOBIL OIL CORPORATION (US) 1980-02-26 US disclosed