SCHEMBL11306263

SCHEMBL11306263

CC(=O)ON=C([C]=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
PLA2G7 Q13093 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 4/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
PKM P14618 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL11306047 0.84 CA1 (0.40) SMN1; SMN2MAPTPKMLMNAALDH1A1
SCHEMBL13979939 0.84 PLA2G7 (0.56) ELANEPLA2G7SMN1; SMN2MAPTCDK5
SCHEMBL6125192 0.84 PLA2G7 (0.56) ELANEPLA2G7SMN1; SMN2MAPTCDK5
SCHEMBL11758279 0.84 CA1 (0.40) SMN1; SMN2MAPTPKMLMNAALDH1A1
SCHEMBL9021031 0.79 TSHR (0.42) MAPTCDK5CDK5R1PKMCES2
SCHEMBL7771434 0.79 TSHR (0.42) MAPTCDK5CDK5R1PKMCES2
SCHEMBL7771436 0.79 TSHR (0.42) MAPTCDK5CDK5R1PKMCES2
SCHEMBL7045591 0.79 ELANE (0.41) ELANEPLA2G7MAPTCDK5CDK5R1
SCHEMBL14667470 0.77 MAPT (0.60) ELANESMN1; SMN2MAPTCDK5CDK5R1
SCHEMBL212911 0.77 MAPT (0.60) ELANESMN1; SMN2MAPTCDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4281116-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-07-28 US disclosed
US-4260745-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1981-04-07 US disclosed
US-4252950-A ANTIBIOTICS, BACTERICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1981-02-24 US disclosed
US-4208515-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1980-06-17 US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed