SCHEMBL13351982

SCHEMBL13351982

C=C(C)[C@@H]1CC[C@]2(C(=O)Cl)CC[C@]3(C)C(CCC4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.54
LMNA P02545 2/20 0.54
NT5E P21589 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EGLN2 Q96KS0 4/20 0.48
EGLN1 Q9GZT9 4/20 0.48
EGLN3 Q9H6Z9 4/20 0.48
P4HTM Q9NXG6 4/20 0.48
GLI1 P08151 3/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RELA Q04206 1/20 0.47
ALB P02768 2/20 0.47
PTPN1 P18031 2/20 0.47
RORC P51449 2/20 0.47
USP2 O75604 1/20 0.47
HIF1A Q16665 1/20 0.47
AKR1B10 O60218 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL3526193 1.00 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2EGLN2
SCHEMBL14398790 0.92 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL13351911 0.92 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL3525117 0.92 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL5442215 0.92 GPBAR1 (0.64) GPBAR1LMNANT5ESMN1; SMN2GLI1
SCHEMBL13351877 0.91 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Lupane Anhydride SCHEMBL2133330 0.91 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Lupane Anhydride SCHEMBL2141349 0.91 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Lupane Anhydride SCHEMBL3525136 0.91 GPBAR1 (0.54) GPBAR1LMNANT5ESMN1; SMN2EGLN2
Lupane Anhydride SCHEMBL2135129 0.91 GPBAR1 (0.54) 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-2010053817-A1 BETULINIC ACID DERIVATIVES AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2010-05-14 WO disclosed