SCHEMBL10496972

SCHEMBL10496972

CCCCC(C)Cc1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
VCAM1 P19320 3/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL27420001 0.81 ALDH1A1 (0.40) VCAM1ALDH1A1TDP1MAPTL3MBTL1
SCHEMBL28355811 0.79 ALOX15 (0.40) ALOX15ALOX12ALDH1A1TDP1MAPT
SCHEMBL27926758 0.79 KCNH2 (0.40) ALOX15ALDH1A1TDP1MAPTL3MBTL1
SCHEMBL16950649 0.78 MAPT (0.36) VCAM1ALDH1A1TDP1MAPT
SCHEMBL456636 0.77 PDK1 (0.41) ALOX15ALDH1A1TDP1MAPTL3MBTL1
SCHEMBL8177420 0.77 POLB (0.39) ALOX15ALOX12ALDH1A1TDP1MAPT
SCHEMBL26168090 0.76 ALDH1A1 (0.46) ALDH1A1L3MBTL1
SCHEMBL11702124 0.73 ALOX15 (0.36) ALOX15ALOX12VCAM1ALDH1A1TDP1
SCHEMBL6205054 0.73 ALDH1A1 (0.36) ALOX15ALOX12ALDH1A1TDP1MAPT
SCHEMBL26168070 0.71 ALDH1A1 (0.50) ALDH1A1

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-4804654-A INSECTICIDES, MITICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-14 US disclosed
CN-87103208-A PHOSPHORAMIDO COMPOUNDS 1988-08-17 CN disclosed