SCHEMBL11005153

SCHEMBL11005153

COC(=O)C=C(C)NC(C(=O)O)c1ccc(O)cc1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.43
ATM Q13315 2/20 0.41
KMT2A Q03164 2/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
TYR P14679 1/20 0.40
YARS1 P54577 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SRC P12931 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL10993025 1.00 FOLH1 (0.46) FOLH1NAALAD2ATMKMT2ACA12
SCHEMBL5995942 0.99 FOLH1 (0.47) FOLH1NAALAD2ATMKMT2ACA12
SCHEMBL5904162 0.99 FOLH1 (0.47) FOLH1NAALAD2ATMKMT2ACA12
SCHEMBL2896479 0.99 FOLH1 (0.47) FOLH1NAALAD2ATMKMT2ACA12
SCHEMBL6129097 0.99 FOLH1 (0.47) FOLH1NAALAD2ATMKMT2ACA12
SCHEMBL8680647 0.87 ATM (0.46) NAALAD2ATMKMT2ACA1CA2
SCHEMBL10852869 0.87 ATM (0.46) NAALAD2ATMKMT2ACA1CA2
SCHEMBL9302331 0.87 ATM (0.46) NAALAD2ATMKMT2ACA1CA2
SCHEMBL11226776 0.86 CA1 (0.40) FOLH1NAALAD2KMT2ACA12CA1
SCHEMBL9302453 0.86 CA1 (0.40) FOLH1NAALAD2KMT2ACA12CA1

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-0132394-A1 Improvements in or relating to the preparation of 3-exomethylene cephalosporins ELI LILLY AND COMPANY (US) 1985-01-30 EP disclosed