SCHEMBL7791752

SCHEMBL7791752

Cc1cc(N(CCCCO)C(C)CCCO)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
TSHR P16473 2/20 0.38
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
TXNRD1 Q16881 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
GSTP1 P09211 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7792084 0.80 MAPT (0.55) MAPTTSHRALDH1A1TDP1TXNRD1
SCHEMBL3048348 0.76 MAPT (0.54) MAPTTSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL7470399 0.74 MAPT (0.61) MAPTTSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL5462361 0.72 MAPT (0.64) MAPTTSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL14419323 0.69 TXNRD1 (0.52) MAPTTSHRALDH1A1TXNRD1SMN1; SMN2
SCHEMBL29740665 0.69 MAPT (0.72) MAPTTSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL3060140 0.67 MAPT (0.59) MAPTTSHRALDH1A1TDP1KDM4E
SCHEMBL11886403 0.67 MAPT (1.00) MAPTTSHRALDH1A1TDP1L3MBTL1
SCHEMBL3054634 0.67 MAPT (0.63) MAPTTSHRALDH1A1TDP1LMNA
SCHEMBL10176162 0.66 MAPT (0.69) MAPTTSHRALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626077-B1 IMAGE-RECORDING MATERIALS POLAROID CORP (US) 2001-11-21 EP disclosed
US-5414091-A Compounds for thermographic images using cyan dyes POLAROID CORPORATION (US) 1995-05-09 US disclosed
EP-0626077-A1 IMAGE-RECORDING MATERIALS POLAROID CORPORATION (US) 1994-11-30 EP disclosed
US-5340689-A For diffusion transfer color process POLAROID CORPORATION (US) 1994-08-23 US disclosed
WO-1994015256-A1 IMAGE-RECORDING MATERIALS POLAROID CORPORATION (US) 1994-07-07 WO disclosed