SCHEMBL14345289

SCHEMBL14345289

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

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 8/20 0.84
▸ LMNA P02545 2/20 0.84
▸ NT5E P21589 2/20 0.84
▸ SMN1; SMN2 Q16637 1/20 0.84
▸ EGLN2 Q96KS0 3/20 0.64
▸ EGLN1 Q9GZT9 3/20 0.64
▸ EGLN3 Q9H6Z9 3/20 0.64
▸ P4HTM Q9NXG6 3/20 0.64
▸ ALB P02768 2/20 0.58
▸ PTPN1 P18031 2/20 0.58
▸ GLI1 P08151 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ AKR1B10 O60218 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ AKR1B1 P15121 1/20 0.58
▸ DPP4 P27487 1/20 0.58
▸ RORC P51449 1/20 0.58
▸ SAE1 Q9UBE0 1/20 0.58
▸ UBA2 Q9UBT2 1/20 0.58

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
SCHEMBL9106997 1.00 GPBAR1 (0.84) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL10152727 1.00 GPBAR1 (0.84) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL15979577 1.00 GPBAR1 (0.84) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL13908801 0.92 GPBAR1 (0.87) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL14259781 0.92 GPBAR1 (0.87) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL14682802 0.92 GPBAR1 (0.87) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL13814591 0.92 GPBAR1 (0.87) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL13814592 0.91 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL13098064 0.91 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Betunolic Acid SCHEMBL10062172 0.91 GPBAR1 (1.00) GPBAR1LMNANT5ESMN1; SMN2EGLN2

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-2007141392-A2 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 — — WO disclosed
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