SCHEMBL7545549

SCHEMBL7545549

CC(CC(=O)Oc1ncc[nH]1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
TBXAS1 P24557 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
STING1 Q86WV6 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
APAF1 O14727 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1487897 0.77 ELANE (0.42) ADRA2AADRA2BADRA2CKDM4EALDH1A1
SCHEMBL6048435 0.77 SMN1; SMN2 (0.37) TBXAS1KDM4EALDH1A1TAAR1MAPT
SCHEMBL1646347 0.77 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL4060537 0.77 TBXAS1 (0.39) TBXAS1KDM4EALDH1A1MAPT
SCHEMBL15528122 0.75 TXN (0.37) KDM4EALDH1A1MAPT
SCHEMBL9824924 0.74 ALDH1A1 (0.38) TBXAS1KDM4EALDH1A1
SCHEMBL25475176 0.74 TBXAS1 (0.33) TBXAS1KDM4EALDH1A1
SCHEMBL11589157 0.74 TBXAS1 (0.44) TBXAS1KDM4EALDH1A1
SCHEMBL11048265 0.74 TBXAS1 (0.33) TBXAS1KDM4EALDH1A1
SCHEMBL16859466 0.74 TBXAS1 (0.33) TBXAS1KDM4EALDH1A1

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
JP-2002047337-A RESIN COMPOSITION FOR SEALING AND SEMICONDUCTOR SEALING DEVICE TOSHIBA CHEM CORP 2002-02-12 JP disclosed