SCHEMBL28215558

SCHEMBL28215558

CCCC(=O)Oc1c[nH]c2ccccc12.[KH].[KH]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.65
GABRA1 P14867 1/20 0.51
GABRB2 P47870 1/20 0.51
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PBRM1 Q86U86 1/20 0.49
KDM4E B2RXH2 2/20 0.48
POLB P06746 2/20 0.48
APAF1 O14727 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTNNB1 P35222 1/20 0.47

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
SCHEMBL17536618 1.00 SLC22A6 (0.65) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL148210 0.98 SLC22A6 (0.67) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL28021733 0.97 SLC22A6 (0.65) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL10599504 0.91 SLC22A6 (0.61) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL6835665 0.91 SLC22A6 (0.68) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL28258881 0.90 SLC22A6 (0.60) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL1121806 0.89 SLC22A6 (0.58) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL4558873 0.89 SLC22A6 (0.58) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL29000165 0.89 SLC22A6 (0.58) SLC22A6GABRA1GABRB2MAPTMEN1
SCHEMBL352798 0.88 SLC22A6 (0.69) SLC22A6GABRA1GABRB2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107889834-A A kind of special root-growing agent of a cypress 龚贤飞 2018-04-10 CN claimed
CN-107889834-A A kind of special root-growing agent of a cypress 龚贤飞 2018-04-10 CN disclosed
CN-107889834-A A kind of special root-growing agent of a cypress 龚贤飞 2018-04-10 CN disclosed