SCHEMBL9864672

SCHEMBL9864672

O=COc1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.53
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
ALOX5 P09917 1/20 0.42
XDH P47989 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL17676109 0.86 ALDH5A1 (0.57) GPR35MAPTHPGDALDH1A1HSD17B10
SCHEMBL7290850 0.84 ALDH1A1 (0.49) GPR35MAPTHPGDALDH1A1CYP3A4
SCHEMBL4847049 0.80 GPR35 (0.58) GPR35MAPTHPGDALDH1A1CYP3A4
SCHEMBL11309820 0.79 ALDH1A1 (0.50) MAPTHPGDALDH1A1CYP3A4HSD17B10
SCHEMBL3491884 0.79 ATM (0.55) MAPTALDH1A1CYP3A4LMNATDP1
SCHEMBL19886590 0.79 CYP19A1 (0.41) MAPTALDH1A1CYP3A4HSD17B10KDM4E
SCHEMBL1852678 0.79 GPR35 (0.56) GPR35MAPTHPGDALDH1A1CYP3A4
SCHEMBL4839671 0.77 GPR35 (0.55) GPR35MAPTHPGDALDH1A1CYP3A4
SCHEMBL16284322 0.77 MAPT (0.45) MAPTHPGDALDH1A1CYP3A4HSD17B10
Methoxymethane SCHEMBL11671269 0.77 GPR35 (0.58) GPR35MAPTHPGDALDH1A1CYP3A4

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 11 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-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