SCHEMBL9425166

SCHEMBL9425166

O=C(O)c1[nH]c2cc(O)c(O)cc2c(=O)c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 12/20 0.60
SRC P12931 4/20 0.46
PRKACA P17612 3/20 0.45
PRKACG P22612 3/20 0.45
PRKACB P22694 3/20 0.45
APP P05067 1/20 0.39

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
SCHEMBL27948924 0.87 GPR35 (0.66) GPR35SRCPRKACAPRKACGPRKACB
SCHEMBL7871830 0.79 GPR35 (0.60) GPR35SRCPRKACAPRKACGPRKACB
SCHEMBL11784003 0.77 GPR35 (0.66) GPR35SRCPRKACAPRKACGPRKACB
SCHEMBL14703001 0.75 GPR35 (0.64) GPR35SRCPRKACAPRKACGPRKACB
SCHEMBL11090367 0.72 GPR35 (0.39) GPR35
SCHEMBL31120728 0.71 PRNP (0.61) GPR35SRCPRKACAPRKACGPRKACB
SCHEMBL7698120 0.71 MEN1 (0.43)
SCHEMBL9319718 0.70 KDM4E (0.59)
SCHEMBL14702999 0.70 GPR35 (1.00) GPR35
SCHEMBL14702927 0.69 GPR35 (1.00) GPR35SRCPRKACAPRKACGPRKACB

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
EP-0420069-A2 Heterocyclic hydrazide derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1991-04-03 EP claimed
US-5318963-A Heterocyclic hydrazide derivatives of monocyclic β-lactam antibiotics E. R. SQUIBB & SONS, INC. (US) 1994-06-07 US disclosed
EP-0420069-A2 Heterocyclic hydrazide derivatives of monocyclic beta-lactam antibiotics E.R. SQUIBB & SONS, INC. (US) 1991-04-03 EP disclosed