SCHEMBL10511570

SCHEMBL10511570

C[C@H](CCC(=O)OC(=O)CC[C@@H](C)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1C[C@@H]3O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 13/20 0.86
▸ NR1H4 Q96RI1 5/20 0.81
▸ ABCB11 O95342 3/20 0.81
▸ MEN1 O00255 2/20 0.81
▸ KMT2A Q03164 2/20 0.81
▸ SLC10A2 Q12908 2/20 0.81
▸ ENPP2 Q13822 2/20 0.81
▸ LMNA P02545 1/20 0.81
▸ CYP2C19 P33261 1/20 0.81
▸ CHRM2 P08172 1/20 0.81
▸ ADRA2A P08913 1/20 0.81
▸ ADRA1A P35348 1/20 0.81
▸ TDP1 Q9NUW8 1/20 0.81
▸ SLC10A1 Q14973 1/20 0.81
▸ CISD1 Q9NZ45 1/20 0.81
▸ CYP3A4 P08684 1/20 0.81
▸ NR3C1 P04150 1/20 0.74

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
SCHEMBL14627933 0.93 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL21283696 0.93 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL22079612 0.93 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL23424218 0.93 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL22079590 0.93 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL24170380 0.93 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL22079190 0.93 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL24999603 0.93 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL22152087 0.93 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A
SCHEMBL22062319 0.93 GPBAR1 (1.00) GPBAR1NR1H4ABCB11MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0202703-B1 PHARMACEUTICAL COMPOSITIONS OF THE PRODRUG TYPE, A PROCESS FOR THE PREPARATION THEREOF, A PROCESS FOR THE PREPARATION OF THEM AS PRODRUG FUNCTIONING COMPOUNDS AND COMPOUNDS OBTAINED THEREIN N.V. Gantax Pharmaceutica (BE) 1989-08-09 — — EP claimed
EP-0202703-A1 Pharmaceutical compositions of the prodrug type, a process for the preparation thereof, a process for the preparation of them as prodrug functioning compounds and compounds obtained therein N.V. Gantax Pharmaceutica (BE) 1986-11-26 — — EP claimed
US-4863965-A Ibuprofen acid anhydrides and prodrug pharmaceutical composition containing the same B.V.B.A. INPHARM (BE) 1989-09-05 — — US disclosed
EP-0202703-B1 PHARMACEUTICAL COMPOSITIONS OF THE PRODRUG TYPE, A PROCESS FOR THE PREPARATION THEREOF, A PROCESS FOR THE PREPARATION OF THEM AS PRODRUG FUNCTIONING COMPOUNDS AND COMPOUNDS OBTAINED THEREIN N.V. Gantax Pharmaceutica (BE) 1989-08-09 — — EP disclosed
EP-0202703-A1 Pharmaceutical compositions of the prodrug type, a process for the preparation thereof, a process for the preparation of them as prodrug functioning compounds and compounds obtained therein N.V. Gantax Pharmaceutica (BE) 1986-11-26 — — EP disclosed
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