SCHEMBL13301976

SCHEMBL13301976

C=C(CO)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=N)C(C)(COC(C)=O)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 1/20 0.57
▸ GPBAR1 Q8TDU6 11/20 0.56
▸ LMNA P02545 2/20 0.56
▸ NT5E P21589 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ F3 P13726 1/20 0.53
▸ CES2 O00748 1/20 0.53
▸ CES1 P23141 1/20 0.53
▸ PTPN1 P18031 2/20 0.51
▸ GLI1 P08151 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ AKR1B10 O60218 1/20 0.51
▸ ALB P02768 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ AKR1B1 P15121 1/20 0.51
▸ DPP4 P27487 1/20 0.51
▸ RORC P51449 1/20 0.51
▸ SAE1 Q9UBE0 1/20 0.51
▸ UBA2 Q9UBT2 1/20 0.51

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
SCHEMBL13301993 0.90 SLC10A1 (0.70) SLC10A1GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL13301992 0.90 SLC10A1 (0.64) SLC10A1GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL13293257 0.88 GPBAR1 (0.69) SLC10A1GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL16705031 0.84 F3 (0.71) SLC10A1GPBAR1LMNANT5EF3
SCHEMBL3506340 0.84 GPBAR1 (0.75) GPBAR1LMNANT5ESMN1; SMN2F3
SCHEMBL13301931 0.83 PTGES (0.61) SLC10A1GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL13293256 0.82 GPBAR1 (0.67) GPBAR1LMNANT5ESMN1; SMN2F3
SCHEMBL13293148 0.81 SLC10A1 (0.71) SLC10A1GPBAR1LMNANT5ESMN1; SMN2
SCHEMBL13910823 0.81 GPBAR1 (0.81) GPBAR1LMNANT5ESMN1; SMN2F3
SCHEMBL13293261 0.80 GPBAR1 (0.59) GPBAR1LMNANT5ESMN1; SMN2F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010068668-A1 23-SUBSTITUTED DERIVATIVES OF LUPANE-TYPE PENTACYCLIC TRITERPENOIDS ADVANCED LIFE SCIENCES, INC. (US) 2010-06-17 — — WO disclosed
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