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SCHEMBL12470650

SCHEMBL12470650

C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](OC(=O)CNC(=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]3CC[C@]12C

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 8/20 0.84
▸ NR1H4 Q96RI1 4/20 0.84
▸ ABCB11 O95342 4/20 0.84
▸ ENPP2 Q13822 2/20 0.84
▸ SLC10A1 Q14973 4/20 0.73
▸ KMT2A Q03164 3/20 0.68
▸ SLC10A2 Q12908 3/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ LMNA P02545 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ CHRM2 P08172 1/20 0.68
▸ ADRA2A P08913 1/20 0.68
▸ ADRA1A P35348 1/20 0.68
▸ TDP1 Q9NUW8 1/20 0.68
▸ CISD1 Q9NZ45 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ VDR P11473 1/20 0.67
▸ EPHA2 P29317 1/20 0.67

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
Glycoursodeoxycholic Acid SCHEMBL13851608 0.92 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A1
Glycoursodeoxycholic Acid SCHEMBL28793575 0.92 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A1
Glycoursodeoxycholic Acid SCHEMBL1219678 0.92 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A1
Glycoursodeoxycholic Acid SCHEMBL935341 0.92 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A1
Glycoursodeoxycholic Acid SCHEMBL12917601 0.92 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A1
Glycoursodeoxycholic Acid SCHEMBL10694925 0.92 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A1
Glycoursodeoxycholic Acid SCHEMBL11962429 0.92 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A1
Glycoursodeoxycholic Acid SCHEMBL59881 0.92 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A1
Glycochenodeoxycholate SCHEMBL236354 0.92 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A1
Glycoursodeoxycholic Acid SCHEMBL9151495 0.92 GPBAR1 (1.00) GPBAR1NR1H4ABCB11ENPP2SLC10A1

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-2673000-A2 POLYMER-CARBOHYDRATE-LIPID CONJUGATES Wu, Nian (US) 2013-12-18 — — EP disclosed
WO-2012109112-A2 POLYMER-CARBOHYDRATE-LIPID CONJUGATES WU NIAN (US) 2012-08-16 — — WO disclosed
WO-2012109052-A1 POLYMER-CARBOHYDRATE-LIPID CONJUGATES WU NIAN (US) 2012-08-16 — — WO disclosed