SCHEMBL5570512

SCHEMBL5570512

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)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 0.89

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 5/20 0.89
GPBAR1 Q8TDU6 7/20 0.81
SLC10A2 Q12908 4/20 0.81
ABCC4 O15439 3/20 0.76
NR1H4 Q96RI1 2/20 0.76
ABCB11 O95342 2/20 0.76
PLA2G1B P04054 1/20 0.76
ENPP2 Q13822 1/20 0.76
TSHR P16473 1/20 0.70
RAB9A P51151 1/20 0.70
LMNA P02545 1/20 0.70
BLM P54132 1/20 0.70
CYP3A4 P08684 2/20 0.64
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
SLCO1B3 Q9NPD5 1/20 0.64
SLCO1B1 Q9Y6L6 1/20 0.64
USP2 O75604 1/20 0.64
VDR P11473 1/20 0.62

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
SCHEMBL23222857 1.00 SLC10A1 (0.89) SLC10A1GPBAR1SLC10A2ABCC4NR1H4
SCHEMBL25791272 0.97 GPBAR1 (0.86) SLC10A1GPBAR1SLC10A2ABCC4NR1H4
SCHEMBL23222871 0.97 GPBAR1 (0.86) SLC10A1GPBAR1SLC10A2ABCC4NR1H4
SCHEMBL23222893 0.97 GPBAR1 (0.86) SLC10A1GPBAR1SLC10A2ABCC4NR1H4
SCHEMBL7998870 0.97 GPBAR1 (0.86) SLC10A1GPBAR1SLC10A2ABCC4NR1H4
SCHEMBL19360981 0.94 SLC10A1 (1.00) SLC10A1GPBAR1SLC10A2ABCC4NR1H4
SCHEMBL19360976 0.94 SLC10A1 (1.00) SLC10A1GPBAR1SLC10A2ABCC4NR1H4
SCHEMBL25943448 0.94 SLC10A1 (1.00) SLC10A1GPBAR1SLC10A2ABCC4NR1H4
SCHEMBL19360987 0.94 SLC10A1 (1.00) SLC10A1GPBAR1SLC10A2ABCC4NR1H4
SCHEMBL19360957 0.94 SLC10A1 (1.00) SLC10A1GPBAR1SLC10A2ABCC4NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853176-A2 AGENTS AND METHODS FOR ENHANCEMENT OF TRANSDERMAL TRANSPORT Sontra Medical Corporation (US) 2007-11-14 EP disclosed
WO-2006091877-A2 AGENTS AND METHODS FOR ENHANCEMENT OF TRANSDERMAL TRANSPORT SONTRA MEDICAL CORPORATION (US) 2006-08-31 WO disclosed
US-20060015058-A1 Agents and methods for enhancement of transdermal transport KELLOGG SCOTT C 2006-01-19 US disclosed