SCHEMBL9442579

SCHEMBL9442579

O=C(O)CCCCCN([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
LMNA P02545 4/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
GPR84 Q9NQS5 8/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 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
Adipic Acid SCHEMBL28123564 0.74 LMNA (0.65) TSHRLMNANFKB1PMP22GPR84
SCHEMBL31344500 0.72 LMNA (0.43) TSHRLMNANFKB1PMP22MEN1
SCHEMBL8091272 0.71 LMNA (0.65) TSHRLMNANFKB1PMP22GPR84
SCHEMBL2371273 0.71 LMNA (0.65) TSHRLMNANFKB1PMP22GPR84
SCHEMBL25186232 0.71 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL301600 0.71 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
SCHEMBL166746 0.71 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
Sebacic Acid SCHEMBL20500595 0.71 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
SCHEMBL21065467 0.71 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84
SCHEMBL1674812 0.71 TSHR (1.00) TSHRLMNANFKB1PMP22GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258507-A FOR IN SITU DETECTION OF NUCLEIC ACID SEQUENCES AMOCO CORPORATION (US) 1993-11-02 US disclosed
EP-0485155-A1 Novel labeling reagents useful for the chemical attachment of nitrophenyl derivative ligands to DNA probes AMOCO CORPORATION (US) 1992-05-13 EP disclosed