SCHEMBL27928660

SCHEMBL27928660

O=C(O)c1cc(CO)c2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.58
MGAM O43451 1/20 0.52
ALDH1A1 P00352 4/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
IGFBP5 P24593 2/20 0.47
IGFBP3 P17936 1/20 0.47
PDE10A Q9Y233 2/20 0.46
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
GRM2 Q14416 2/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DHODH Q02127 1/20 0.42

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
SCHEMBL30744791 0.87 ALOX15 (0.61) ALOX15MGAMALDH1A1HPGDHSD17B10
SCHEMBL6604473 0.84 ALOX15 (0.54) ALOX15MGAMALDH1A1HPGDHSD17B10
SCHEMBL30744751 0.84 KDM4E (0.59) ALOX15MGAMALDH1A1HPGDHSD17B10
SCHEMBL5835461 0.82 ALOX15 (0.51) ALOX15MGAMALDH1A1HPGDHSD17B10
SCHEMBL30420748 0.82 ALOX15 (0.63) ALOX15MGAMALDH1A1HPGDHSD17B10
SCHEMBL6080381 0.81 KDM4E (0.42) ALOX15IGFBP5IGFBP3KDM4ELMNA
SCHEMBL28623461 0.80 ALOX15 (0.54) ALOX15ALDH1A1HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL9602865 0.80 ALOX15 (0.50) ALOX15MGAMALDH1A1HPGDHSD17B10
SCHEMBL30438333 0.80 ALOX15 (0.54) ALOX15MGAMALDH1A1HPGDHSD17B10
SCHEMBL2114841 0.80 GRM2 (0.61) ALOX15MGAMALDH1A1HPGDPDE10A

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-111278817-B Polycyclic compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-05-16 CN claimed
CN-105777870-A Novel thiostrepton analogue and preparation method and application thereof 中国科学院上海有机化学研究所 2016-07-20 CN disclosed
CN-103205470-A Functions and application of short chain dehydrogenase TsrU SHANGHAI INST ORGANIC CHEM 2013-07-17 CN disclosed