SCHEMBL1338280

SCHEMBL1338280

CCNC(=O)c1ccccc1CC(O)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 1/20 0.48
PSMB5 P28074 1/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
BRD4 O60885 3/20 0.42
HTT P42858 3/20 0.40
BCAT2 O15382 1/20 0.40
CXCR2 P25025 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL7097581 0.78 L3MBTL1 (0.57) L3MBTL1KMT2AHPGDLMNAGAA
SCHEMBL1338833 0.77 MMP12 (0.44) KMT2AHPGDLMNABCAT2TSHR
SCHEMBL5008853 0.75 HPGD (0.67) L3MBTL1KMT2APSMB5HPGDLMNA
SCHEMBL22027924 0.75 L3MBTL1 (0.54) L3MBTL1KMT2AHPGDLMNAGAA
SCHEMBL31483721 0.74 HTT (0.64) L3MBTL1KMT2AHPGDBRD4HTT
SCHEMBL26417076 0.74 HTT (0.64) L3MBTL1KMT2AHPGDBRD4HTT
SCHEMBL1980813 0.73 L3MBTL1 (0.53) L3MBTL1KMT2AHPGDLMNAGAA
SCHEMBL8254177 0.73 L3MBTL1 (0.53) L3MBTL1KMT2AHPGDLMNAGAA
SCHEMBL8550181 0.73 MMP12 (0.46) KMT2AHPGDGAAHTTALDH1A1
SCHEMBL7749859 0.73 L3MBTL1 (0.53) L3MBTL1KMT2AHPGDLMNAGAA

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-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed