SCHEMBL28080606

SCHEMBL28080606

O=C(O)c1cc(Oc2ccccc2C(=O)O)cc(Oc2ccccc2C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 5/20 0.51
HSD17B10 Q99714 5/20 0.51
CTNNB1 P35222 1/20 0.51
USP2 O75604 1/20 0.51
PDE3A Q14432 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ESR1 P03372 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
HMGB1 P09429 1/20 0.49
TSHR P16473 1/20 0.49
GGT1 P19440 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
BLM P54132 1/20 0.49
NAPRT Q6XQN6 1/20 0.49

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
SCHEMBL28264709 0.98 HTT (0.53) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28423664 0.96 HTT (0.54) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL921873 0.86 AKR1C3 (0.69) HTTKDM4EALDH1A1CTNNB1KMT2A
SCHEMBL28560551 0.85 KDM4E (0.63) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29727025 0.85 AKR1C3 (0.45) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL13851461 0.84 HTT (0.67) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28264707 0.84 KDM4E (0.61) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL920326 0.84 SRD5A2 (0.59) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28411450 0.83 CTNNB1 (0.66) HTTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1798 0.83 CTNNB1 (0.71) HTTKDM4EALDH1A1HPGDHSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109021018-A A kind of multicore manganese complex and preparation method thereof and the adjustment effect that kaffir lily seed is sprouted 陕西理工大学 2018-12-18 CN claimed
CN-105859798-A Co-3,5-di(2-carboxyl phenoxy)benzoate complex and preparation method thereof and application in soybean growth regulation 陕西理工学院 2016-08-17 CN claimed
CN-109021018-A A kind of multicore manganese complex and preparation method thereof and the adjustment effect that kaffir lily seed is sprouted 陕西理工大学 2018-12-18 CN disclosed
CN-109021018-A A kind of multicore manganese complex and preparation method thereof and the adjustment effect that kaffir lily seed is sprouted 陕西理工大学 2018-12-18 CN disclosed
CN-105859798-A Co-3,5-di(2-carboxyl phenoxy)benzoate complex and preparation method thereof and application in soybean growth regulation 陕西理工学院 2016-08-17 CN disclosed