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Sugi Predict / Compounds / SCHEMBL6428952

SCHEMBL6428952

SCHEMBL6428952

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CCC(O)C(O)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 6/20 0.70
▸ VDR P11473 4/20 0.70
▸ CASP7 P55210 3/20 0.70
▸ HSD17B10 Q99714 3/20 0.70
▸ TDP1 Q9NUW8 3/20 0.70
▸ TP53 P04637 2/20 0.70
▸ MAPK1 P28482 2/20 0.70
▸ BLM P54132 2/20 0.70
▸ EPHA2 P29317 2/20 0.70
▸ AKR1B10 O60218 2/20 0.70
▸ AKR1B1 P15121 2/20 0.70
▸ LMNA P02545 2/20 0.70
▸ MAPT P10636 2/20 0.70
▸ USP2 O75604 2/20 0.70
▸ MDM4 O15151 1/20 0.70
▸ CYP3A4 P08684 1/20 0.70
▸ HSPD1 P10809 1/20 0.70
▸ TSHR P16473 1/20 0.70
▸ PTPN2 P17706 1/20 0.70
▸ PTPN1 P18031 1/20 0.70

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
SCHEMBL7606272 1.00 GPBAR1 (0.70) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL7607772 0.89 GPBAR1 (0.61) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL7552067 0.89 GPBAR1 (0.72) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL935606 0.88 GPBAR1 (0.54) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL15156946 0.88 GPBAR1 (0.54) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL10932516 0.88 GPBAR1 (0.54) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL15155966 0.86 GPBAR1 (0.74) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL10440804 0.86 GPBAR1 (0.74) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL4021386 0.86 GPBAR1 (0.74) GPBAR1VDRCASP7HSD17B10TDP1
SCHEMBL16225763 0.85 NPC1L1 (0.64) TP53LMNAUSP2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003508407-A — — 2003-03-04 — — JP claimed
EP-1210359-A2 A PROCESS FOR THE PREPARATION OF 3-AMINO BILE ACID DERIVATIVES BRACCO IMAGING S.p.A. (IT) 2002-06-05 — — EP claimed
EP-1140209-A1 BLOOD POOL AGENTS FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSTICS BRACCO IMAGING S.p.A. (IT) 2001-10-10 — — EP claimed
WO-2001016157-A2 A PROCESS FOR THE PREPARATION OF 3-AMINO BILE ACID DERIVATIVES BRACCO IMAGING S.P.A. (IT) 2001-03-08 — — WO claimed
WO-2000038738-A1 BLOOD POOL AGENTS FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSTICS BRACCO IMAGING S.P.A. (IT) 2000-07-06 — — WO claimed
EP-0760683-A1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO S.p.A. (IT) 1997-03-12 — — EP claimed
WO-1995032741-A1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO S.P.A. (IT) 1995-12-07 — — WO claimed
EP-1155023-B1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO SPA (IT) 2005-03-02 — — EP disclosed
EP-1210359-A2 A PROCESS FOR THE PREPARATION OF 3-AMINO BILE ACID DERIVATIVES BRACCO IMAGING S.p.A. (IT) 2002-06-05 — — EP disclosed
EP-1140209-A1 BLOOD POOL AGENTS FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSTICS BRACCO IMAGING S.p.A. (IT) 2001-10-10 — — EP disclosed
WO-2001016157-A2 A PROCESS FOR THE PREPARATION OF 3-AMINO BILE ACID DERIVATIVES BRACCO IMAGING S.P.A. (IT) 2001-03-08 — — WO disclosed
WO-2000038738-A1 BLOOD POOL AGENTS FOR NUCLEAR MAGNETIC RESONANCE DIAGNOSTICS BRACCO IMAGING S.P.A. (IT) 2000-07-06 — — WO disclosed
EP-0760683-A1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO S.p.A. (IT) 1997-03-12 — — EP disclosed
WO-1995032741-A1 BILE ACID CONJUGATES, DERIVATIVES THEREOF WITH METAL COMPLEXES AND RELATED USES BRACCO S.P.A. (IT) 1995-12-07 — — WO disclosed