SCHEMBL11567217

SCHEMBL11567217

CCCC1(C(=O)Nc2ccc(OCc3c(Cl)cccc3Cl)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 2/20 0.40
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
FFAR1 O14842 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
DHODH Q02127 2/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL11563225 0.85 MAPT (0.52) MAPTALDH1A1LMNAHPGDALOX12
SCHEMBL11439168 0.81 MEN1 (0.38) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11568228 0.76 ALDH1A1 (0.43) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL11566143 0.75 DHODH (0.43) MAPTALDH1A1LMNADHODHS1PR1
SCHEMBL11567211 0.75 ALDH1A1 (0.42) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11562231 0.75 ALDH1A1 (0.46) MAPTALDH1A1LMNAHPGDALOX12
SCHEMBL11567925 0.73 ALDH1A1 (0.44) MAPTALDH1A1LMNAHPGDALOX12
SCHEMBL11433744 0.72 LMNA (0.39) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11567930 0.70 ALDH1A1 (0.43) MAPTALDH1A1LMNAHPGDALOX12
SCHEMBL11567219 0.69 ITGA4 (0.41) ALDH1A1MEN1KMT2A

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-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 US disclosed