SCHEMBL10753545

SCHEMBL10753545

COc1cc(C(=O)O)c(OC)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.55
PKM P14618 2/20 0.51
AKR1C3 P42330 6/20 0.51
AKR1C2 P52895 6/20 0.51
AKR1B10 O60218 2/20 0.48
AKR1B1 P15121 2/20 0.48
AKR1C4 P17516 2/20 0.48
AKR1C1 Q04828 2/20 0.48
MAPT P10636 6/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 2/20 0.45
G6PD P11413 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL591202 0.84 TPMT (0.55) TPMTPKMAKR1C3AKR1C2MAPT
SCHEMBL591201 0.84 TPMT (0.55) TPMTPKMAKR1C3AKR1C2MAPT
SCHEMBL6823020 0.83 TPMT (0.58) TPMTPKMAKR1C3AKR1C2AKR1B10
SCHEMBL10551263 0.83 TPMT (0.44) TPMTPKMAKR1C3AKR1C2MAPT
SCHEMBL31218393 0.83 TPMT (0.54) TPMTPKMAKR1C3AKR1C2AKR1B10
SCHEMBL31218394 0.83 TPMT (0.54) TPMTPKMAKR1C3AKR1C2AKR1B10
SCHEMBL31218395 0.83 HSD17B10 (0.61) TPMTPKMAKR1C3AKR1C2AKR1B10
SCHEMBL505279 0.83 MAPT (0.59) TPMTPKMAKR1C3AKR1C2AKR1B10
SCHEMBL14050211 0.83 TPMT (0.54) TPMTPKMAKR1C3AKR1C2AKR1B10
SCHEMBL1708885 0.83 HSD17B10 (0.61) TPMTPKMAKR1C3AKR1C2AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520176-B1 Method for increasing the nutritional value of rapeseed and rape products with decreased oil content ROP REPCE OLAJ PELLET KFT (HU) 2019-02-20 EP disclosed
US-20120282369-A1 METHOD FOR INCREASING THE NUTRITIONAL VALUE OF RAPESEED AND RAPE PRODUCTS WITH DECREASED OIL CONTENT ROP REPCE-OLAJ-PELLET KFT. (HU) 2012-11-08 US disclosed
EP-2520176-A1 Method for increasing the nutritional value of rapeseed and rape products with decreased oil content ROP Repce-olaj-pellet Kft. (HU) 2012-11-07 EP disclosed
US-4705861-A AZO DYE CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
EP-0187231-A2 Amino phenyl benzothiazoles BAYER AG (DE) 1986-07-16 EP disclosed
EP-0001246-B1 PREPARATION OF 2-(3'- OR 4'-AMINOPHENYL)-5(OR 6)-AMINOBENZIMIDAZOLES CASSELLA Aktiengesellschaft (DE) 1981-02-25 EP disclosed
US-4192947-A REACTING DIAMINO NITROBENZENE WITH NITROBENZOYL CHLORIDE, CYCLIZING ANILIDE IN AQUEOUS ALKALI, REDUCING NITRO GROUPS WITH SULFIDE CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-11 US disclosed
EP-0001246-A1 Preparation of 2-(3'- or 4'-aminophenyl)-5(or 6)-aminobenzimidazoles CASSELLA Aktiengesellschaft (DE) 1979-04-04 EP disclosed