SCHEMBL13956965

SCHEMBL13956965

C=C1CCC2(C)C(CCC3(C)C2CCC2C4C(C(C)C)CCC4(C(=O)O)CCC23C)C1(C)C

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 20/20 0.69
▸ PRKCD Q05655 1/20 0.69
▸ LMNA P02545 1/20 0.60
▸ NT5E P21589 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60

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
Dihydrobetulonic Acid SCHEMBL3276418 0.90 GPBAR1 (0.71) GPBAR1PRKCDLMNANT5ESMN1; SMN2
Dihydrobetulonic Acid SCHEMBL10061167 0.90 GPBAR1 (0.71) GPBAR1PRKCDLMNANT5ESMN1; SMN2
Dihydrobetulonic Acid SCHEMBL14414141 0.90 GPBAR1 (0.71) GPBAR1PRKCDLMNANT5ESMN1; SMN2
Dihydrobetulonic Acid SCHEMBL13908784 0.90 GPBAR1 (0.71) GPBAR1PRKCDLMNANT5ESMN1; SMN2
SCHEMBL13301977 0.83 GPBAR1 (0.65) GPBAR1PRKCDLMNANT5ESMN1; SMN2
SCHEMBL14134447 0.83 GPBAR1 (0.65) GPBAR1PRKCDLMNANT5ESMN1; SMN2
SCHEMBL23284050 0.82 GPBAR1 (0.73) GPBAR1PRKCD
SCHEMBL17281331 0.82 GPBAR1 (0.83) GPBAR1PRKCD
SCHEMBL13748109 0.82 GPBAR1 (0.64) GPBAR1PRKCD
Dihydrobetulinic Acid SCHEMBL14071702 0.82 GPBAR1 (1.00) GPBAR1PRKCDLMNANT5E

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
EP-1131337-B1 NOVEL BETULINIC ACID DERIVATIVES, PROCESSES FOR PREPARING SUCH DERIVATIVES AND ITS USE AS CANCER GROWTH INHIBITORS DABUR PHARMA LTD (IN) 2009-01-14 — — EP disclosed
Send feedback