SCHEMBL28113890

SCHEMBL28113890

CCC(=O)Oc1c[nH]c2ccccc12.[NaH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.67
PKM P14618 1/20 0.51
PBRM1 Q86U86 1/20 0.50
MAPT P10636 5/20 0.49
KDM4E B2RXH2 3/20 0.49
APAF1 O14727 1/20 0.49
POLB P06746 1/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
ALOX5 P09917 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 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
SCHEMBL352798 0.98 SLC22A6 (0.69) SLC22A6PKMPBRM1MAPTKDM4E
SCHEMBL28021733 0.89 SLC22A6 (0.65) SLC22A6PKMPBRM1MAPTKDM4E
SCHEMBL20481507 0.88 SLC22A6 (0.55) SLC22A6PKMPBRM1MAPTKDM4E
SCHEMBL148210 0.88 SLC22A6 (0.67) SLC22A6PKMPBRM1MAPTKDM4E
SCHEMBL28215558 0.86 SLC22A6 (0.65) SLC22A6PKMPBRM1MAPTKDM4E
SCHEMBL17536618 0.86 SLC22A6 (0.65) SLC22A6PKMPBRM1MAPTKDM4E
SCHEMBL6835665 0.85 SLC22A6 (0.68) SLC22A6PKMPBRM1MAPTKDM4E
SCHEMBL1714417 0.85 SLC22A6 (0.68) SLC22A6PKMPBRM1MAPTKDM4E
SCHEMBL3446433 0.84 SLC22A6 (0.66) SLC22A6PKMPBRM1MAPTKDM4E
SCHEMBL10599504 0.84 SLC22A6 (0.61) SLC22A6PKMPBRM1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106214592-B Hair follicle nutrient liquor composition and preparation method thereof 美萃国际贸易(上海)有限公司 2019-03-15 CN disclosed
CN-106214592-A Hair follicle nutrient liquor composition and preparation method thereof 美萃国际贸易(上海)有限公司 2016-12-14 CN disclosed