SCHEMBL11337232

SCHEMBL11337232

CC(C)NC(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.55
KDM4E B2RXH2 5/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 4/20 0.54
CA12 O43570 3/20 0.54
CA2 P00918 3/20 0.54
CA9 Q16790 3/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 3/20 0.53
MASP2 O00187 1/20 0.53
DHODH Q02127 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
PKM P14618 2/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50

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
SCHEMBL10362881 0.83 KDM4E (0.76) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL4749159 0.83 DHODH (0.69) CFDKDM4EALDH1A1CA12CA2
Benzene SCHEMBL11580764 0.81 ANPEP (0.61) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL140910 0.81 KMT2A (0.54) CFDKDM4EHTTCA12CA2
SCHEMBL27972037 0.81 KMT2A (0.54) CFDKDM4EHTTCA12CA2
SCHEMBL8686791 0.80 ALDH1A1 (0.70) CFDKDM4EALDH1A1CA12CA2
Benzene SCHEMBL11580668 0.79 TAS1R3 (0.65) KDM4EHTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL449366 0.79 L3MBTL1 (0.58) CFDKDM4EALDH1A1CA12CA2
SCHEMBL16127718 0.79 CA12 (0.60) CFDKDM4EALDH1A1CA12CA2
SCHEMBL11856297 0.79 ANPEP (0.63) ALDH1A1HPGDNPC1RAB9AMAPT

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-4265832-A Preparation of anthranilamides BAYER AKTIENGESELLSCHAFT (DE) 1981-05-05 US disclosed