SCHEMBL6046896

SCHEMBL6046896

Nc1ccccc1NC(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.51
HDAC3 O15379 12/20 0.51
HDAC2 Q92769 12/20 0.51
MAPK1 P28482 1/20 0.51
LTA4H P09960 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC10 Q969S8 6/20 0.49
HDAC6 Q9UBN7 6/20 0.49
NCOR2 Q9Y618 6/20 0.49
HDAC4 P56524 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC8 Q9BY41 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
LNPEP Q9UIQ6 2/20 0.44
ERAP2 Q6P179 1/20 0.44

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
SCHEMBL8171158 0.84 GAA (0.57) LTA4HNPC1RAB9A
SCHEMBL8213428 0.83 KDM4E (0.57) LTA4H
SCHEMBL8037232 0.80 LTA4H (0.47) LTA4H
SCHEMBL27295439 0.80 KDM4E (0.57) LTA4HNPC1RAB9A
SCHEMBL11646576 0.80 LTA4H (0.47) LTA4H
SCHEMBL27295441 0.80 KDM4E (0.57) LTA4HNPC1RAB9A
SCHEMBL3954076 0.80 LTA4H (0.67) LTA4H
SCHEMBL2309395 0.80 LTA4H (0.67) LTA4H
Potassium Ion SCHEMBL8214287 0.79 LTA4H (0.49) MAPK1LTA4H
SCHEMBL27373247 0.79 TSHR (0.56) NPC1RAB9A

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
US-20200131322-A1 FILM, METHOD FOR EVALUATING OPTICAL HOMOGENEITY OF FILM, AND FILM PRODUCTION METHOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-04-30 US disclosed
US-20060036138-A1 Devices and methods of screening for neoplastic and inflammatory disease HELLER, ADAM 2006-02-16 US disclosed