SCHEMBL9865491

SCHEMBL9865491

CCOCC(CC=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
ACP3 P15309 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACHE P22303 1/20 0.39
GLO1 Q04760 1/20 0.39
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL9864581 0.86 KMT2A (0.41) KMT2AMEN1HPGDL3MBTL1ATM
SCHEMBL9865841 0.84 L3MBTL1 (0.43) KMT2AMEN1HPGDL3MBTL1ATM
SCHEMBL9865833 0.84 L3MBTL1 (0.43) KMT2AMEN1HPGDL3MBTL1ATM
SCHEMBL9865480 0.82 ALOX5 (0.44) KMT2AMEN1HPGDL3MBTL1ATM
SCHEMBL10876371 0.81 FFAR1 (0.49) KMT2AMEN1HPGDL3MBTL1ATM
SCHEMBL9864571 0.81 ALOX5 (0.41) KMT2AMEN1HPGDL3MBTL1ATM
SCHEMBL27671946 0.80 L3MBTL1 (0.46) KMT2AMEN1HPGDL3MBTL1ATM
SCHEMBL25337211 0.79 NPSR1 (0.45) KMT2AMEN1HPGDL3MBTL1LMNA
SCHEMBL21200200 0.76 KMT2A (0.55) KMT2AMEN1HPGDL3MBTL1LMNA
SCHEMBL21200199 0.76 KMT2A (0.55) KMT2AMEN1HPGDL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
US-4902707-A Bicyclic pyrazolidinones, compositions and use ELI LILLY AND COMPANY (US) 1990-02-20 US disclosed
US-4826992-A MICROBIOCIDE INTERMEDIATES ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
US-4795815-A BACTERICIDES, MICROBIOCIDES ELI LILLY AND COMPANY (US) 1989-01-03 US disclosed
US-4716232-A 1-(vinyl phosphonate adduct) pyrazolidinones ELI LILLY AND COMPANY (US) 1987-12-29 US disclosed
EP-0203723-A1 2,3-(dihydro)bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0202794-A1 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-26 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed