SCHEMBL7792084

SCHEMBL7792084

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.39
GSTP1 P09211 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GSTM2 P28161 3/20 0.36
TXNRD1 Q16881 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
KLF10 Q13118 1/20 0.36
VCAM1 P19320 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7470399 0.88 MAPT (0.61) MAPTALDH1A1TSHRTDP1KDM4E
SCHEMBL3060140 0.84 MAPT (0.59) MAPTALDH1A1TSHRTDP1KDM4E
SCHEMBL3054634 0.81 MAPT (0.63) MAPTALDH1A1TSHRTDP1HPGD
SCHEMBL7791752 0.80 MAPT (0.48) MAPTALDH1A1TSHRTDP1KDM4E
SCHEMBL7475387 0.80 MAPT (0.61) MAPTALDH1A1TSHRTDP1KDM4E
SCHEMBL3059939 0.79 MAPT (0.56) MAPTALDH1A1TSHRTDP1LMNA
SCHEMBL5462361 0.78 MAPT (0.64) MAPTALDH1A1TSHRTDP1KDM4E
SCHEMBL3835000 0.77 MAPT (0.67) MAPTALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL14174537 0.77 ALDH1A1 (0.62) MAPTALDH1A1TSHRTDP1KDM4E
SCHEMBL8643866 0.75 ALDH1A1 (0.53) MAPTALDH1A1TSHRTDP1KDM4E

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