Sugi Predict

Sugi Predict / Compounds / SCHEMBL7546767

SCHEMBL7546767

SCHEMBL7546767

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]5CCC6C7C(CC[C@@]65C)[C@@]5(C)CC[C@H](O)CC5C[C@@H]7O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 7/20 0.71
▸ NR1H4 Q96RI1 5/20 0.71
▸ SLC10A2 Q12908 3/20 0.71
▸ PDE3A Q14432 2/20 0.71
▸ TBXA2R P21731 1/20 0.71
▸ CYP3A4 P08684 3/20 0.68
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ LMNA P02545 3/20 0.67
▸ TDP1 Q9NUW8 3/20 0.67
▸ ABCB11 O95342 2/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ CHRM2 P08172 1/20 0.67
▸ ADRA2A P08913 1/20 0.67
▸ ADRA1A P35348 1/20 0.67
▸ ENPP2 Q13822 1/20 0.67
▸ SLC10A1 Q14973 1/20 0.67
▸ CISD1 Q9NZ45 1/20 0.67
▸ MAPT P10636 3/20 0.66
▸ MAPK1 P28482 3/20 0.66

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
SCHEMBL2369521 1.00 GPBAR1 (0.71) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
SCHEMBL246889 1.00 GPBAR1 (0.71) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
SCHEMBL1758946 0.96 GPBAR1 (0.67) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
SCHEMBL2467588 0.96 GPBAR1 (0.72) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
SCHEMBL25791216 0.96 GPBAR1 (0.75) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
SCHEMBL25791236 0.96 GPBAR1 (0.75) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
SCHEMBL2637801 0.96 GPBAR1 (0.75) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
SCHEMBL8646650 0.95 GPBAR1 (0.66) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
SCHEMBL2323981 0.94 GPBAR1 (0.78) GPBAR1NR1H4SLC10A2PDE3ATBXA2R
SCHEMBL1287858 0.93 GPBAR1 (0.78) GPBAR1NR1H4SLC10A2PDE3ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259532-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF Bracco Imaging S.p.A. (IT) 2002-11-27 — — 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
WO-2001064708-A1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING S.P.A. (IT) 2001-09-07 — — WO 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
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