SCHEMBL28079425

SCHEMBL28079425

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.47
L3MBTL1 Q9Y468 3/20 0.39
POLB P06746 3/20 0.39
BLM P54132 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN7 P35236 1/20 0.39
ESR2 Q92731 1/20 0.39
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
MASP2 O00187 1/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 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
SCHEMBL28079424 0.94 POLB (0.40) HCAR2L3MBTL1POLBBLMKMT2A
SCHEMBL28109566 0.89 HCAR2 (0.44) HCAR2L3MBTL1POLBBLMKMT2A
SCHEMBL28109564 0.82 L3MBTL1 (0.41) HCAR2L3MBTL1POLBBLMKMT2A
SCHEMBL28089141 0.81 HCAR2 (0.62) HCAR2L3MBTL1POLBBLMKMT2A
Ammonia Solution, Strong SCHEMBL7020677 0.79 HCAR2 (0.60) HCAR2L3MBTL1POLBBLMKMT2A
SCHEMBL3482642 0.79 HCAR2 (0.64) HCAR2POLBMAPTALDH1A1CYP2C19
SCHEMBL3482700 0.79 HCAR2 (0.64) HCAR2POLBMAPTALDH1A1CYP2C19
SCHEMBL27216283 0.79 HCAR2 (0.64) HCAR2POLBMAPTALDH1A1CYP2C19
SCHEMBL3482702 0.73 HCAR2 (0.56) HCAR2POLBKMT2AMAPTALDH1A1
SCHEMBL3482805 0.73 HCAR2 (0.56) HCAR2POLBKMT2AMAPTALDH1A1

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