SCHEMBL4585824

SCHEMBL4585824

C[C](N)NC(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
CYP1A2 P05177 1/20 0.58
KDM4E B2RXH2 2/20 0.55
GAA P10253 2/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GLA P06280 1/20 0.53
HSD17B10 Q99714 2/20 0.52
HDAC3 O15379 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
IDO1 P14902 1/20 0.52
ALOX15 P16050 1/20 0.52
HDAC1 Q13547 1/20 0.52
CA9 Q16790 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52

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
SCHEMBL19100020 0.82 ALDH1A1 (0.58) ALDH1A1CYP1A2KDM4EGAANPC1
Benzene SCHEMBL28074647 0.82 ALDH1A1 (0.69) ALDH1A1CYP1A2KDM4EGAANPC1
SCHEMBL40525 0.82 ALDH1A1 (0.69) ALDH1A1CYP1A2KDM4EGAANPC1
SCHEMBL863064 0.82 ALDH1A1 (0.63) ALDH1A1CYP1A2KDM4EGAANPC1
SCHEMBL12262968 0.82 ALDH1A1 (0.69) ALDH1A1CYP1A2KDM4EGAANPC1
SCHEMBL28166896 0.82 ALDH1A1 (0.69) ALDH1A1CYP1A2KDM4EGAANPC1
Acetic Acid SCHEMBL28664924 0.82 ALDH1A1 (0.89) ALDH1A1CYP1A2KDM4EGAANPC1
Acetic Acid SCHEMBL27316996 0.82 ALDH1A1 (0.58) ALDH1A1CYP1A2KDM4EGAANPC1
SCHEMBL76489 0.81 ALDH1A1 (0.67) ALDH1A1CYP1A2KDM4EGAANPC1
SCHEMBL2746303 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2KDM4EGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537230-A4 FLUORESCENT ENZYME ASSAY METHODS AND COMPOSITIONS APPLERA CORP (US) 2008-06-18 EP disclosed
EP-1537230-A1 FLUORESCENT ENZYME ASSAY METHODS AND COMPOSITIONS Applera Corporation (US) 2005-06-08 EP disclosed
US-20040146959-A1 Fluorescent enzyme assay methods and compositions APPLIED BIOSYSTEMS, LLC 2004-07-29 US disclosed
WO-2004022773-A1 FLUORESCENT ENZYME ASSAY METHODS AND COMPOSITIONS APPLERA CORPORATION (US) 2004-03-18 WO disclosed