SCHEMBL27554172

SCHEMBL27554172

CC(=O)OC1(CNC(=O)OC(C)(C)C)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.41
EPHX1 P07099 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
DRD2 P14416 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL16667031 0.92 HCRTR2 (0.41) HCRTR2EPHX1TDP1DRD2MEN1
SCHEMBL3813627 0.88 HCRTR2 (0.32) HCRTR2EPHX1
SCHEMBL3813302 0.85 HCRTR2 (0.30) HCRTR2
SCHEMBL28815172 0.84 HCRTR2 (0.39) HCRTR2EPHX1TDP1DRD2MEN1
SCHEMBL4757164 0.84 HCRTR2 (0.30) HCRTR2
SCHEMBL3810910 0.84 HCRTR2 (0.30) HCRTR2
SCHEMBL90580 0.82 HCRTR2 (0.41) HCRTR2EPHX1TDP1DRD2MEN1
SCHEMBL3809387 0.82 LMNA (0.34) LMNA
SCHEMBL6863397 0.81 HCRTR2 (0.40) HCRTR2EPHX1TDP1DRD2MEN1
SCHEMBL27485317 0.80 TSHR (0.39) P2RX7ALDH1A1TSHRKDM4ELMNA

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
CN-1344245-A Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy WARNER LAMBER CO (US) 2002-04-10 CN claimed
CN-104755482-B functionalized 9-bromo-camptothecin derivatives 内尔维阿诺医学科学有限公司 2017-04-26 CN disclosed
CN-1170811-C Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy ��ʲ 2004-10-13 CN disclosed
CN-1344245-A Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy WARNER LAMBER CO (US) 2002-04-10 CN disclosed