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Sugi Predict / Compounds / SCHEMBL1653753

SCHEMBL1653753

SCHEMBL1653753

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CC[C@@H](C)[C@H]5CCC6C7CCC8C[C@@H](O)CC[C@]8(C)C7CC[C@@]65C)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 4/20 0.82
▸ CASP7 P55210 3/20 0.82
▸ GPBAR1 Q8TDU6 3/20 0.82
▸ TP53 P04637 2/20 0.82
▸ MAPK1 P28482 2/20 0.82
▸ HSD17B10 Q99714 2/20 0.82
▸ BLM P54132 2/20 0.82
▸ TDP1 Q9NUW8 2/20 0.82
▸ USP2 O75604 2/20 0.82
▸ HIF1A Q16665 2/20 0.82
▸ MDM4 O15151 1/20 0.82
▸ CYP3A4 P08684 1/20 0.82
▸ MAPT P10636 1/20 0.82
▸ HSPD1 P10809 1/20 0.82
▸ TSHR P16473 1/20 0.82
▸ PTPN2 P17706 1/20 0.82
▸ PTPN1 P18031 1/20 0.82
▸ EPHA2 P29317 1/20 0.82
▸ BRCA1 P38398 1/20 0.82
▸ HSPE1 P61604 1/20 0.82

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
SCHEMBL517850 0.94 GPBAR1 (0.74) VDRCASP7GPBAR1TP53MAPK1
SCHEMBL2638871 0.94 GPBAR1 (0.74) VDRCASP7GPBAR1TP53MAPK1
SCHEMBL5584186 0.94 GPBAR1 (0.73) VDRCASP7GPBAR1TP53MAPK1
SCHEMBL2323981 0.93 GPBAR1 (0.78) VDRCASP7GPBAR1TP53MAPK1
SCHEMBL9665090 0.93 GPBAR1 (0.87) VDRCASP7GPBAR1TP53MAPK1
SCHEMBL5063047 0.93 VDR (0.84) VDRCASP7GPBAR1TP53MAPK1
SCHEMBL5063050 0.93 VDR (0.84) VDRCASP7GPBAR1TP53MAPK1
SCHEMBL22854970 0.93 VDR (0.84) VDRCASP7GPBAR1TP53MAPK1
SCHEMBL5063055 0.93 VDR (0.84) VDRCASP7GPBAR1TP53MAPK1
SCHEMBL22855500 0.91 VDR (0.81) VDRCASP7GPBAR1TP53MAPK1

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
US-20110086829-A1 COMPOSITIONS AND METHODS FOR TREATING OBESITY ATHERONOVA OPERATIONS, INC. 2011-04-14 — — US disclosed
WO-2011044523-A2 COMPOSITIONS AND METHODS FOR TREATING OBESITY ATHERONOVA OPERATIONS, INC. (US) 2011-04-14 — — WO disclosed