SCHEMBL4606975

SCHEMBL4606975

O=[N+]([O-])c1cccc(Cl)c1NCC(O)CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 1/20 0.49
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
NPC1 O15118 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 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
SCHEMBL3666022 0.90 GPR35 (0.43) ALDH1A1MEN1KMT2ATDP1CYP3A4
SCHEMBL2417023 0.80 ALDH1A1 (0.41) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL29566643 0.80 MAPT (0.60) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL308233 0.80 MAPT (0.60) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL9657643 0.78 GLA (0.42) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL10480222 0.78 GLA (0.40) MAPTALDH1A1KMT2AMAPK1L3MBTL1
SCHEMBL11507064 0.77 MAPT (0.57) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL5878676 0.77 MEN1 (0.51) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL3667437 0.76 GPR35 (0.45) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL3046272 0.75 MAPT (0.55) MAPTALDH1A1MEN1KMT2AMAPK1

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-1948236-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF SKIN Naturalite Benelux B.V. (NL) 2008-07-30 EP disclosed
WO-2007099398-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF SKIN NATURALITE BENELUX B.V. (US) 2007-09-07 WO disclosed