SCHEMBL7758951

SCHEMBL7758951

CC1(C)OCC(COc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
DRD4 P21917 2/20 0.41
TTR P02766 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HSPB1 P04792 3/20 0.40
CYP1A2 P05177 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
CA2 P00918 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL15244283 0.89 DRD4 (0.42) MAPTMEN1KMT2ALMNADRD4
SCHEMBL11665864 0.88 MEN1 (0.38) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL15244041 0.87 S1PR4 (0.48) DRD4HSPB1CA2CYP19A1
SCHEMBL12518685 0.85 DRD4 (0.45) MAPTDRD4CYP1A2CA2SMN1; SMN2
SCHEMBL3701823 0.83 MAPT (0.51) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL30121999 0.83 MAPT (0.51) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL7561668 0.83 DRD4 (0.40) MEN1KMT2ALMNAPKMDRD4
SCHEMBL12661586 0.80 CHRNB4 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL1073697 0.80 CHRNB4 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL466047 0.80 CHRNB4 (0.53) ALDH1A1SMN1; SMN2

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
EP-0851864-B1 NOVEL COUPLING AGENTS, PROCESSES FOR THEIR PREPARATION AND HAIR DYES SCHWARZKOPF GMBH HANS (DE) 2001-05-23 EP disclosed
US-5961668-A 4-(2,4-diaminophenoxymethyl)-1,3-dioxolane secondary intermediates, processes for their production, and hair colorants HANS SCHWARZKOPF GMBH & CO. KG (DE) 1999-10-05 US disclosed