Nitrophenolate

Nitrophenolate

SCHEMBL28355685

CCCCCC(=O)O.O=[N+]([O-])c1ccccc1O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
AKR1B1 P15121 1/20 0.47
PPARG P37231 11/20 0.47
PPARA Q07869 6/20 0.47
TRPA1 O75762 1/20 0.47
FBP1 P09467 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PPARD Q03181 4/20 0.46
TSHR P16473 3/20 0.46
GPR84 Q9NQS5 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
TLR2 O60603 1/20 0.46
ESR1 P03372 1/20 0.46

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
Decanoic Acid SCHEMBL28551408 0.99 PPARG (0.49) MEN1KMT2APPARGPPARATRPA1
Octanoic Acid SCHEMBL8200120 0.99 PPARG (0.49) MEN1KMT2APPARGPPARATRPA1
Dodecanoate SCHEMBL2177136 0.99 PPARG (0.49) MEN1KMT2APPARGPPARATRPA1
Palmitic Acid SCHEMBL27937097 0.99 PPARG (0.49) MEN1KMT2APPARGPPARATRPA1
Oleic Acid SCHEMBL13731199 0.91 PPARG (0.59) MEN1KMT2AKDM4EPPARGPPARA
Sebacic Acid SCHEMBL15541673 0.91 MAPT (0.52) MEN1KMT2ATSHRHDAC11ALDH1A1
Nitrophenolate SCHEMBL1568956 0.89 GPR35 (0.46) MEN1KMT2AFBP1CES2CES1
Dodecanoate SCHEMBL27633294 0.89 PPARG (0.55) MEN1KMT2APPARGPPARATRPA1
Nitrophenolate SCHEMBL5189172 0.84 GPR35 (0.50) MEN1KMT2ATSHRALDH1A1TDP1
Valeric Acid SCHEMBL11801995 0.84 GPR35 (0.50) MEN1KMT2AKDM4EPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110628743-A Stereoselective esterase, coding gene, vector, engineering bacterium and application 浙江工业大学 2019-12-31 CN disclosed