SCHEMBL27593722

SCHEMBL27593722

CCOC(=O)CCCc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP4Z1 Q86W10 2/20 0.46
CYP4F11 Q9HBI6 1/20 0.46
CYP4F12 Q9HCS2 1/20 0.46
TSHR P16473 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
ALOX5 P09917 1/20 0.44
TNF P01375 1/20 0.44
MAPK1 P28482 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL27972753 0.92 CYP4F2 (0.54) MAPTKDM4ETDP1ALDH1A1CYP4Z1
SCHEMBL6984451 0.84 ALDH1A1 (0.55) MAPTKDM4ETDP1ALDH1A1TNF
SCHEMBL26264596 0.83 LMNA (0.50) MAPTKDM4EALDH1A1CYP4Z1TSHR
SCHEMBL27593711 0.83 TSHR (0.49) MAPTKDM4EALDH1A1TSHRLMNA
SCHEMBL27575457 0.83 TSHR (0.53) MAPTKDM4EALDH1A1TSHRMAPK1
SCHEMBL402250 0.83 MAPT (0.46) MAPTKDM4ETDP1ALDH1A1CYP4Z1
SCHEMBL7188600 0.81 MAPT (0.55) MAPTKDM4ETDP1ALDH1A1CYP4Z1
SCHEMBL21824145 0.81 ALDH1A1 (0.58) MAPTKDM4ETDP1ALDH1A1CYP4Z1
Hydrochloric Acid SCHEMBL6988461 0.80 MAPT (0.54) MAPTKDM4ETDP1ALDH1A1CYP4Z1
SCHEMBL6989418 0.79 MAPT (0.54) MAPTKDM4ETDP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1464874-A Process for preparation of 1,5-diaminonaphthalenes MITSUI CHEMICALS INC (JP) 2003-12-31 CN disclosed