SCHEMBL8905147

SCHEMBL8905147

NN=Cc1ccc(C(N)(CC=O)C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CYP1A2 P05177 1/20 0.40
MAOB P27338 1/20 0.37
CA2 P00918 3/20 0.33
CA1 P00915 1/20 0.33
ESRRG P62508 2/20 0.32
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ATM Q13315 1/20 0.31
MITF O75030 1/20 0.31

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
Hydrochloric Acid SCHEMBL8500976 0.98 KMT2A (0.39) KMT2AMEN1CYP1A2MAOBCA2
SCHEMBL8503420 0.85 MEN1 (0.38) KMT2AMEN1CYP1A2MAOBCA2
Hydrochloric Acid SCHEMBL8497837 0.84 MEN1 (0.37) KMT2AMEN1CYP1A2MAOBCA2
SCHEMBL4813600 0.79 ALDH1A1 (0.46) KMT2AMEN1CYP1A2GRM5GRM1
Hydrochloric Acid SCHEMBL8904499 0.78 GRIN2D (0.33) KMT2AMEN1CYP1A2MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8906605 0.76 MEN1 (0.31) KMT2AMEN1CYP1A2
SCHEMBL8905131 0.74 MEN1 (0.47) KMT2AMEN1CYP1A2GRM5GRM1
Hydrochloric Acid SCHEMBL8500969 0.73 KMT2A (0.46) KMT2AMEN1CYP1A2GRM5GRM1
Hydrochloric Acid SCHEMBL8904925 0.72 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8904742 0.72 MAOB (0.31) MAOB

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-5703125-A MELT BLEND OF SOAP, SURFACTANT AND SOLVENT G. D. SEARLE & CO. (US) 1997-12-30 US disclosed