SCHEMBL9450837

SCHEMBL9450837

NOCc1cc(C(=O)O)nc2cc(O)c(O)cc12

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGFBP3 P17936 11/20 0.59
IGFBP5 P24593 8/20 0.59
ALOX15 P16050 1/20 0.36
IGFBP1 P08833 1/20 0.36
IGFBP2 P18065 1/20 0.36
IGFBP4 P22692 1/20 0.36
IGFBP6 P24592 1/20 0.36
IDO1 P14902 2/20 0.34

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
SCHEMBL9450689 0.73 KDM4E (0.40) IGFBP3IGFBP5
SCHEMBL9319269 0.71 IGFBP5 (0.53) IGFBP3IGFBP5ALOX15IGFBP1IGFBP2
SCHEMBL11827386 0.68 IGFBP5 (0.47) IGFBP3IGFBP5ALOX15IGFBP1IGFBP2
SCHEMBL8311752 0.68 ALDH1A1 (0.35) IGFBP3IGFBP5IDO1
SCHEMBL9319128 0.68 IGFBP3 (0.49) IGFBP3IGFBP5ALOX15IGFBP1IGFBP2
SCHEMBL10578056 0.67 IDO1 (0.42) ALOX15IDO1
SCHEMBL30420748 0.67 ALOX15 (0.63) IGFBP3IGFBP5ALOX15
SCHEMBL11823904 0.67 IGFBP5 (0.46) IGFBP3IGFBP5ALOX15IGFBP1IGFBP2
SCHEMBL2905794 0.65 IGFBP5 (0.46) IGFBP3IGFBP5ALOX15
SCHEMBL19326306 0.63 ALDH1A1 (0.42)

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-5250691-A Heteroaryl derivatives of monocyclic beta-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1993-10-05 US disclosed
EP-0531976-A1 Heteroaryl derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1993-03-17 EP disclosed