SCHEMBL9864571

SCHEMBL9864571

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 4/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
ACP3 P15309 1/20 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
ATM Q13315 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL9865480 0.86 ALOX5 (0.44) ALOX5L3MBTL1KMT2AMEN1HPGD
SCHEMBL9865833 0.83 L3MBTL1 (0.43) ALOX5L3MBTL1KMT2AMEN1HPGD
SCHEMBL9865841 0.83 L3MBTL1 (0.43) ALOX5L3MBTL1KMT2AMEN1HPGD
SCHEMBL9864581 0.82 KMT2A (0.41) ALOX5L3MBTL1KMT2AMEN1HPGD
SCHEMBL9865491 0.81 KMT2A (0.41) ALOX5L3MBTL1KMT2AMEN1HPGD
SCHEMBL10876371 0.80 FFAR1 (0.49) L3MBTL1KMT2AMEN1HPGDNPSR1
SCHEMBL27671946 0.79 L3MBTL1 (0.46) ALOX5L3MBTL1KMT2AMEN1HPGD
SCHEMBL8791339 0.73 LMNA (0.43) ALOX5L3MBTL1KMT2AMEN1HPGD
Dinitrophenylene SCHEMBL9862221 0.73 TSHR (0.68) KMT2AHPGDNPSR1LMNATSHR
SCHEMBL1934510 0.73 L3MBTL1 (0.51) L3MBTL1KMT2AMEN1HPGDNPSR1

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
EP-0310214-A2 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1989-04-05 EP 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-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