SCHEMBL16704974

SCHEMBL16704974

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)C12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 9/20 0.80
▸ NT5E P21589 3/20 0.80
▸ LMNA P02545 2/20 0.80
▸ SMN1; SMN2 Q16637 1/20 0.80
▸ CES2 O00748 2/20 0.70
▸ CES1 P23141 2/20 0.70
▸ F3 P13726 1/20 0.70
▸ PTPN1 P18031 2/20 0.65
▸ GLI1 P08151 2/20 0.65
▸ USP2 O75604 1/20 0.65
▸ HIF1A Q16665 1/20 0.65
▸ AKR1B10 O60218 1/20 0.65
▸ ALB P02768 1/20 0.65
▸ POLB P06746 1/20 0.65
▸ AKR1B1 P15121 1/20 0.65
▸ DPP4 P27487 1/20 0.65
▸ RORC P51449 1/20 0.65
▸ SAE1 Q9UBE0 1/20 0.65
▸ UBA2 Q9UBT2 1/20 0.65
▸ RELA Q04206 1/20 0.63

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
SCHEMBL15450723 1.00 GPBAR1 (0.80) GPBAR1NT5ELMNASMN1; SMN2CES2
SCHEMBL30688063 1.00 GPBAR1 (0.80) GPBAR1NT5ELMNASMN1; SMN2CES2
SCHEMBL14554424 1.00 GPBAR1 (0.80) GPBAR1NT5ELMNASMN1; SMN2CES2
SCHEMBL14023068 1.00 GPBAR1 (0.80) GPBAR1NT5ELMNASMN1; SMN2CES2
SCHEMBL14134274 1.00 GPBAR1 (0.80) GPBAR1NT5ELMNASMN1; SMN2CES2
SCHEMBL3507861 1.00 GPBAR1 (0.80) GPBAR1NT5ELMNASMN1; SMN2CES2
SCHEMBL13184576 1.00 GPBAR1 (0.80) GPBAR1NT5ELMNASMN1; SMN2CES2
SCHEMBL14134563 0.94 GPBAR1 (0.81) GPBAR1NT5ELMNASMN1; SMN2CES2
SCHEMBL16704632 0.94 GPBAR1 (0.69) GPBAR1NT5ELMNASMN1; SMN2CES2
SCHEMBL15445087 0.94 GPBAR1 (0.69) GPBAR1NT5ELMNASMN1; SMN2CES2

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
US-9029414-B2 Triterpenoid compounds and methods of use thereof BIOTECHNOLOGY RESEARCH CORPORATION (HK) 2015-05-12 — — US disclosed
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