SCHEMBL28040667

SCHEMBL28040667

CCc1cccc(OC(=O)O)c1C(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PTK2B Q14289 1/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NSD2 O96028 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL12921070 0.88 CA12 (0.50) MAPTPPARANPSR1HPGDPOLB
SCHEMBL979301 0.84 ELANE (0.41) MAPTPPARAPPARGTDP1KDM4E
SCHEMBL28456642 0.81 MAPT (0.54) MAPTTDP1KDM4EPTK2BRAB9A
SCHEMBL6125235 0.81 MAPT (0.50) MAPTTDP1KDM4EPTK2BRAB9A
SCHEMBL12921072 0.81 HPGD (0.53) MAPTPPARAPPARGTDP1KDM4E
SCHEMBL47951 0.78 L3MBTL1 (0.48) MAPTTDP1KDM4ENPSR1HSD17B10
SCHEMBL11876281 0.78 PPARA (0.50) MAPTPPARAPPARGHPGDKMT2A
SCHEMBL2873451 0.78 SLC6A3 (0.44) MAPTPPARAPPARGTDP1KDM4E
SCHEMBL3908751 0.75 MAPT (0.42) MAPTPPARAPPARGTDP1ALDH1A1
SCHEMBL16301776 0.75 PPARA (0.42) MAPTPPARAPPARGTDP1PTK2B

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
CN-103214409-B The synthesis of tsiklomitsin and analogue thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-21 CN disclosed