SCHEMBL11115744

SCHEMBL11115744

NC(C(=O)NCCc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
EPHX1 P07099 1/20 0.47
CNR1 P21554 1/20 0.46
METAP2 P50579 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
UTS2R Q9UKP6 1/20 0.45
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA1 P00915 1/20 0.44
CA4 P22748 1/20 0.44

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
SCHEMBL4984423 0.84 POLB (0.63) POLBEPHX1CNR1CA12CA2
SCHEMBL5558741 0.80 CA12 (0.52) CA12CA2CA1
SCHEMBL16728218 0.76 ALDH1A1 (0.63) CNR1SIRT5CA12CA2CA9
SCHEMBL4987592 0.75 POLB (0.60) POLB
SCHEMBL27812203 0.75 POLB (0.56) POLBCNR1
SCHEMBL4985404 0.75 SMN1; SMN2 (0.56) POLBCNR1
SCHEMBL159191 0.74 HSD17B10 (0.55)
SCHEMBL30863856 0.74 HSD17B10 (0.55)
SCHEMBL2829819 0.74 HSD17B10 (0.55)
SCHEMBL31215092 0.74 HSD17B10 (0.55)

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
EP-0122155-A2 Improvements in or relating to naphthylglycyl cephalosporin derivatives ELI LILLY AND COMPANY (US) 1984-10-17 EP disclosed