SCHEMBL28079424

SCHEMBL28079424

CCC(OC(=O)/C=C/C(=O)OC(CC)c1ccco1)c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN7 P35236 1/20 0.40
BLM P54132 1/20 0.40
ESR2 Q92731 1/20 0.40
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37

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
SCHEMBL28079425 0.94 HCAR2 (0.47) POLBL3MBTL1KMT2APKMPTPN1
SCHEMBL28109564 0.88 L3MBTL1 (0.41) POLBL3MBTL1KMT2APKMPTPN1
SCHEMBL28109566 0.83 HCAR2 (0.44) POLBL3MBTL1KMT2APKMPTPN1
SCHEMBL28089140 0.78 HCAR2 (0.51) POLBL3MBTL1KMT2APKMPTPN1
SCHEMBL1152090 0.75 SLC6A2 (0.38) POLBL3MBTL1KMT2APKMPTPN1
SCHEMBL3482702 0.75 HCAR2 (0.56) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL3482805 0.75 HCAR2 (0.56) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL27888286 0.74 KMT2A (0.40) POLBL3MBTL1KMT2APKMPTPN1
SCHEMBL10090164 0.73 KMT2A (0.38) POLBL3MBTL1KMT2APKMPTPN1
SCHEMBL28089141 0.73 HCAR2 (0.62) POLBL3MBTL1KMT2APKMPTPN1

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-106035905-A Novel Shatian pomelo tea vinegar drink 孔令娇 2016-10-26 CN disclosed
CN-106035906-A Novel Shatian pomelo tea drink 孔令娇 2016-10-26 CN disclosed
CN-106035852-A Novel mango tea drink 孔令娇 2016-10-26 CN disclosed
CN-106035907-A Shatian pomelo tea vinegar drink 孔令娇 2016-10-26 CN disclosed