SCHEMBL16704981

SCHEMBL16704981

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 10/20 0.69
▸ LMNA P02545 2/20 0.68
▸ NT5E P21589 2/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ EGLN2 Q96KS0 1/20 0.68
▸ EGLN1 Q9GZT9 1/20 0.68
▸ EGLN3 Q9H6Z9 1/20 0.68
▸ P4HTM Q9NXG6 1/20 0.68
▸ CES2 O00748 2/20 0.67
▸ CES1 P23141 2/20 0.67
▸ F3 P13726 1/20 0.67
▸ PTPN1 P18031 2/20 0.62
▸ GLI1 P08151 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ AKR1B10 O60218 1/20 0.62
▸ ALB P02768 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ AKR1B1 P15121 1/20 0.62
▸ DPP4 P27487 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
SCHEMBL13293178 1.00 GPBAR1 (0.69) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL3507541 1.00 GPBAR1 (0.69) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL16704671 0.93 EGLN2 (0.65) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL13304146 0.92 GPBAR1 (0.59) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL13293261 0.92 GPBAR1 (0.59) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL16704971 0.91 EGLN2 (0.67) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL15450694 0.91 EGLN2 (0.67) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL13293163 0.89 EGLN2 (0.83) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL14086933 0.89 EGLN2 (0.83) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL14554423 0.89 GPBAR1 (0.72) GPBAR1LMNANT5ESMN1; 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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