SCHEMBL11780332

SCHEMBL11780332

CCCCCCCCC1COC(c2ccc([N+](=O)[O-])o2)O1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 4/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 3/20 0.35
STING1 Q86WV6 1/20 0.35
ENPP2 Q13822 3/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
EPHX1 P07099 1/20 0.34
LPAR2 Q9HBW0 1/20 0.33
CYP1A2 P05177 2/20 0.33
GRM2 Q14416 3/20 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
SCHEMBL11780489 1.00 ALDH1A1 (0.42) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL11778643 1.00 ALDH1A1 (0.42) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL11776584 1.00 ALDH1A1 (0.42) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL11776242 1.00 ALDH1A1 (0.42) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL11776308 1.00 ALDH1A1 (0.42) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL11782575 0.95 ALDH1A1 (0.41) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL11775301 0.75 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11087719 0.70 ALDH1A1 (0.53) ALDH1A1EPHX1GRM2
SCHEMBL11086638 0.70 ALDH1A1 (0.53) ALDH1A1EPHX1GRM2
SCHEMBL11781977 0.68 ALDH1A1 (0.43) ALDH1A1MAPTTP53MEN1KMT2A

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
US-3987189-A COSMETICS HENKEL & CIE G.M.B.H. (DT) 1976-10-19 US disclosed