SCHEMBL27722243

SCHEMBL27722243

O=C(O)c1c(C(=O)O)n(COCc2ccccc2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.53
CCR2 P41597 2/20 0.53
POLB P06746 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
FOLH1 Q04609 2/20 0.44
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL30728403 0.78 CYP19A1 (0.57) AGTR1KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL4821857 0.73 MCL1 (0.46) AGTR1POLBFOLH1THRBL3MBTL1
SCHEMBL14809705 0.72 CCR2 (0.70) CCR2POLBKDM4EALDH1A1HPGD
SCHEMBL6723373 0.71 ALDH1A1 (0.59) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL5070885 0.70 LMNA (0.55) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL3277702 0.69 CCR2 (0.56) CCR2POLBKDM4EALDH1A1HPGD
SCHEMBL6302591 0.69 CCR2 (1.00) CCR2POLBKDM4EALDH1A1HPGD
SCHEMBL9236147 0.69 CCR2 (0.59) CCR2POLBKDM4EALDH1A1HPGD
SCHEMBL612585 0.68 POLB (0.62) CCR2POLBKDM4EALDH1A1HPGD
SCHEMBL3187789 0.67 LMNA (0.58) KDM4EALDH1A1THRBL3MBTL1MEN1

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-100434420-C Compounds that block dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO (JP) 2008-11-19 CN disclosed