SCHEMBL18575957

SCHEMBL18575957

C[C@H](N)C(=O)N[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4[C@H](C)CCC(=O)O)C3CC[C@@H]2C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 4/20 0.69
▸ CASP7 P55210 3/20 0.69
▸ HSD17B10 Q99714 3/20 0.69
▸ GPBAR1 Q8TDU6 3/20 0.69
▸ TDP1 Q9NUW8 3/20 0.69
▸ TP53 P04637 2/20 0.69
▸ MAPK1 P28482 2/20 0.69
▸ BLM P54132 2/20 0.69
▸ EPHA2 P29317 2/20 0.69
▸ AKR1B10 O60218 2/20 0.69
▸ AKR1B1 P15121 2/20 0.69
▸ LMNA P02545 2/20 0.69
▸ USP2 O75604 2/20 0.69
▸ MDM4 O15151 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ MAPT P10636 1/20 0.69
▸ HSPD1 P10809 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ PTPN2 P17706 1/20 0.69
▸ PTPN1 P18031 1/20 0.69

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
SCHEMBL18575958 1.00 VDR (0.69) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL20480604 0.92 ST6GAL1 (0.71) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL20480609 0.92 ST6GAL1 (0.71) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL18576208 0.92 ST6GAL1 (0.71) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL20480607 0.92 ST6GAL1 (0.71) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL22855309 0.89 VDR (0.73) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL22855456 0.88 VDR (0.70) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL22855507 0.87 ST6GAL1 (0.65) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL22855506 0.87 EPHA2 (0.65) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL22855508 0.87 EPHA2 (0.65) VDRCASP7HSD17B10GPBAR1TDP1

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
WO-2017035501-A1 SIALYLTRANSFERASE INHIBITORS AND USES THEREOF ACADEMIA SINICA (TW) 2017-03-02 — — WO disclosed
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