SCHEMBL207597

SCHEMBL207597

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](OC(=O)Oc5ccccc5[N+](=O)[O-])CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 6/20 0.64
SLC10A2 Q12908 4/20 0.64
GPBAR1 Q8TDU6 4/20 0.64
TSHR P16473 1/20 0.57
RAB9A P51151 1/20 0.57
LMNA P02545 1/20 0.57
BLM P54132 1/20 0.57
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
NR1H4 Q96RI1 2/20 0.54
ABCC4 O15439 2/20 0.54
ABCB11 O95342 1/20 0.54
PLA2G1B P04054 1/20 0.54
ENPP2 Q13822 1/20 0.54

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
Taurocholic Acid SCHEMBL207596 0.90 GPBAR1 (0.73) SLC10A1SLC10A2GPBAR1TSHRRAB9A
SCHEMBL15467238 0.82 GPBAR1 (0.77) SLC10A1SLC10A2GPBAR1TSHRRAB9A
Taurocholate Sulfate SCHEMBL31402018 0.81 GPBAR1 (0.81) SLC10A1SLC10A2GPBAR1TSHRRAB9A
Taurocholate Sulfate SCHEMBL28445221 0.81 GPBAR1 (0.81) SLC10A1SLC10A2GPBAR1TSHRRAB9A
SCHEMBL23222871 0.81 GPBAR1 (0.86) SLC10A1SLC10A2GPBAR1TSHRRAB9A
SCHEMBL23222893 0.81 GPBAR1 (0.86) SLC10A1SLC10A2GPBAR1TSHRRAB9A
SCHEMBL7998870 0.81 GPBAR1 (0.86) SLC10A1SLC10A2GPBAR1TSHRRAB9A
SCHEMBL23222857 0.80 SLC10A1 (0.89) SLC10A1SLC10A2GPBAR1TSHRRAB9A
SCHEMBL5570512 0.80 SLC10A1 (0.89) SLC10A1SLC10A2GPBAR1TSHRRAB9A
SCHEMBL15539504 0.80 GPBAR1 (0.84) SLC10A1SLC10A2GPBAR1TSHRRAB9A

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-8088753-B2 Heparin conjugates and methods MEDIPLEX CORPORATION, KOREA (KR) 2012-01-03 US disclosed
US-20090149424-A1 HEPARIN CONJUGATES AND METHODS MEDIPLEX CORPORATION, KOREA (KR) 2009-06-11 US disclosed