SCHEMBL20022609

SCHEMBL20022609

COC(=O)CC(NC(CC(=O)OC)C(=O)OC)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.33
BIRC2 Q13490 1/20 0.33
SLC1A1 P43005 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TET2 Q6N021 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL14591443 0.92 CA1 (0.37) TSHRMGAMGAASIMGAM2
SCHEMBL8996690 0.89 TSHR (0.37) TSHRMGAMGAASIMGAM2
SCHEMBL8996619 0.89 TSHR (0.37) TSHRMGAMGAASIMGAM2
SCHEMBL752074 0.89 TSHR (0.37) TSHRMGAMGAASIMGAM2
SCHEMBL20988042 0.86 BIRC2 (0.39) TSHRMGAMGAASIMGAM2
SCHEMBL13403795 0.85 CA1 (0.35) TSHRCA1CA2CA12CA9
SCHEMBL19090746 0.84 BIRC2 (0.38) TSHRMGAMGAASIMGAM2
SCHEMBL8580782 0.84 TSHR (0.40) TSHRMGAMGAASIMGAM2
SCHEMBL1891853 0.84 TSHR (0.40) TSHRMGAMGAASIMGAM2
SCHEMBL13033614 0.84 TSHR (0.40) TSHRMGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117625200-B Preparation method and application of contaminated soil heavy metal passivation material 山东智土生态环境研究院有限公司 2024-05-03 CN disclosed
CN-117625200-A Preparation method and application of contaminated soil heavy metal passivation material 山东智土生态环境研究院有限公司 2024-03-01 CN disclosed
WO-2018059778-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2018-04-05 WO disclosed
WO-2018059779-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2018-04-05 WO disclosed
WO-2018059774-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2018-04-05 WO disclosed
WO-2018059777-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2018-04-05 WO disclosed
WO-2018059788-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2018-04-05 WO disclosed
WO-2018059772-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2018-04-05 WO disclosed
WO-2018059773-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2018-04-05 WO disclosed