SCHEMBL11875673

SCHEMBL11875673

O=C(NCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.72
SIRT2 Q8IXJ6 1/20 0.64
SIRT1 Q96EB6 1/20 0.64
ITGB3 P05106 2/20 0.64
ITGAV P06756 2/20 0.64
HTT P42858 1/20 0.62
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
CPB1 P15086 1/20 0.60
CPB2 Q96IY4 1/20 0.60
TGM2 P21980 3/20 0.58

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
SCHEMBL4173693 1.00 FOLH1 (0.72) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL4173691 1.00 FOLH1 (0.72) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL464715 0.96 FOLH1 (0.78) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL806151 0.96 FOLH1 (0.78) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL4561005 0.96 FOLH1 (0.78) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL6946394 0.92 FOLH1 (0.65) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL18063383 0.92 FOLH1 (0.65) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL14157482 0.91 FOLH1 (0.72) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL18907028 0.91 FOLH1 (0.72) FOLH1SIRT2SIRT1ITGB3ITGAV
SCHEMBL18907025 0.91 FOLH1 (0.72) FOLH1SIRT2SIRT1ITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3962317-A BACTERICIDES AMERICAN CYANAMID COMPANY (US) 1976-06-08 US claimed
US-3962317-A BACTERICIDES AMERICAN CYANAMID COMPANY (US) 1976-06-08 US disclosed