SCHEMBL8615977

SCHEMBL8615977

NC(C(=O)O)c1cc(O)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
CYP1A2 P05177 2/20 0.68
CYP3A4 P08684 1/20 0.68
GRM1 Q13255 7/20 0.49
TDP1 Q9NUW8 7/20 0.49
HSD17B10 Q99714 6/20 0.49
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 2/20 0.49
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
PTGS2 P35354 2/20 0.45
ALOX5 P09917 1/20 0.45

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
SCHEMBL25362682 1.00 MEN1 (0.68) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL11018237 0.84 MEN1 (0.62) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL17774725 0.82 KDM4E (0.50) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL9004077 0.81 MEN1 (0.64) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL18361419 0.81 MEN1 (0.50) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL29370768 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL8622029 0.81 MEN1 (0.54) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL12648575 0.81 MEN1 (1.00) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL11791007 0.81 GRM1 (0.51) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL9004079 0.81 MEN1 (0.64) MEN1KMT2ACYP1A2CYP3A4GRM1

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
WO-2021081110-A2 PEPTIDES AND USE THEREOF ANEXIGEN, INC. (US) 2021-04-29 WO disclosed
CN-110072883-A The relevant peptide of therapeutic MOTS-C 科巴公司 2019-07-30 CN disclosed
EP-0839799-A1 2-HYDROXYPHENYLALKYLAMINE DERIVATIVES AND MAILLARD REACTION INHIBITORS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-05-06 EP disclosed
EP-0164026-A1 Process for the preparation of optically active glycine derivatives BEECHAM GROUP PLC (GB) 1985-12-11 EP disclosed