SCHEMBL8078638

SCHEMBL8078638

NCCCCCCCCCCCCCCCCCCC(=O)OC(c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 2/20 0.43
TSHR P16473 1/20 0.43
KAT2B Q92831 2/20 0.41
CTSL P07711 1/20 0.39
CTSD P07339 1/20 0.38
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MC4R P32245 1/20 0.34

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
SCHEMBL7533289 0.88 ALDH1A1 (0.45) ALDH1A1CYP1A2TSHRKAT2BCTSL
SCHEMBL9056707 0.88 ALDH1A1 (0.45) ALDH1A1CYP1A2TSHRKAT2BCTSL
SCHEMBL7567942 0.81 CYP1A2 (0.48) ALDH1A1CYP1A2TSHRKAT2BCTSD
SCHEMBL3620200 0.80 ALDH1A1 (0.50) ALDH1A1CYP1A2TSHRCTSLGAA
SCHEMBL13002941 0.80 ALDH1A1 (0.42) ALDH1A1CYP1A2TSHRKAT2BCTSL
SCHEMBL14639143 0.76 CYP1A2 (0.48) ALDH1A1CYP1A2TSHRCTSLGAA
SCHEMBL1053907 0.75 MAOB (0.45) ALDH1A1TSHRKAT2BHPGDLMNA
SCHEMBL8079883 0.75 MAOB (0.45) ALDH1A1TSHRKAT2BHPGDLMNA
SCHEMBL3612598 0.75 MAOB (0.45) ALDH1A1TSHRKAT2BHPGDLMNA
SCHEMBL27889292 0.74 CTSL (0.47) ALDH1A1CYP1A2TSHRCTSLGAA

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-6087072-A Article having a light-controllable super-water-repellent surface and a printing machine using the article HITACHI, LTD. (JP) 2000-07-11 US disclosed
US-6027852-A Article having a light-controllable super-water-repellent surface and a printing machine using the article HITACHI, LTD. (JP) 2000-02-22 US disclosed