SCHEMBL29199780

SCHEMBL29199780

CC[C@H](O)C(=O)Oc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 1/20 0.48
PBRM1 Q86U86 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
APAF1 O14727 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
LMNA P02545 2/20 0.45
HTR2A P28223 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL29199798 1.00 SLC22A6 (0.61) SLC22A6SMN1; SMN2PKMPBRM1KDM4E
SCHEMBL28747978 1.00 SLC22A6 (0.61) SLC22A6SMN1; SMN2PKMPBRM1KDM4E
SCHEMBL4661761 0.84 SLC22A6 (0.67) SLC22A6SMN1; SMN2PKMPBRM1KDM4E
SCHEMBL23241898 0.83 SLC22A6 (0.66) SLC22A6SMN1; SMN2PKMPBRM1KDM4E
SCHEMBL21806575 0.83 SLC22A6 (0.66) SLC22A6SMN1; SMN2PKMPBRM1KDM4E
SCHEMBL352798 0.82 SLC22A6 (0.69) SLC22A6SMN1; SMN2PKMPBRM1KDM4E
SCHEMBL27498634 0.82 SLC22A6 (0.69) SLC22A6SMN1; SMN2PKMPBRM1KDM4E
SCHEMBL27761615 0.81 SLC22A6 (0.56) SLC22A6SMN1; SMN2PKMPBRM1KDM4E
SCHEMBL148210 0.81 SLC22A6 (0.67) SLC22A6SMN1; SMN2PKMPBRM1KDM4E
SCHEMBL28113890 0.81 SLC22A6 (0.67) SLC22A6SMN1; SMN2PKMPBRM1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117945976-A Synthesis process of chiral indole-3-lactic acid 中国农业科学院饲料研究所 2024-04-30 CN disclosed