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SCHEMBL16510596

SCHEMBL16510596

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(/C=C/C(=O)O)cc6)C(C)(C)C5CC[C@]43C)[C@@H]12

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.58
▸ NT5E P21589 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ GPBAR1 Q8TDU6 1/20 0.58
▸ RELA Q04206 2/20 0.57
▸ GLI1 P08151 1/20 0.54

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
SCHEMBL16511228 1.00 LMNA (0.58) LMNANT5ESMN1; SMN2GPBAR1RELA
SCHEMBL9106648 1.00 LMNA (0.58) LMNANT5ESMN1; SMN2GPBAR1RELA
SCHEMBL9106641 1.00 LMNA (0.58) LMNANT5ESMN1; SMN2GPBAR1RELA
SCHEMBL9888529 0.95 RELA (0.54) LMNANT5ESMN1; SMN2GPBAR1RELA
SCHEMBL9888604 0.90 LMNA (0.55) LMNANT5ESMN1; SMN2GPBAR1RELA
SCHEMBL9888477 0.89 LMNA (0.63) LMNANT5ESMN1; SMN2GPBAR1RELA
SCHEMBL18124324 0.89 LMNA (0.63) LMNANT5ESMN1; SMN2GPBAR1RELA
SCHEMBL18124326 0.89 LMNA (0.63) LMNANT5ESMN1; SMN2GPBAR1RELA
SCHEMBL14682840 0.89 LMNA (0.63) LMNANT5ESMN1; SMN2GPBAR1RELA
SCHEMBL14682807 0.88 LMNA (0.62) LMNANT5ESMN1; SMN2GPBAR1

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-2011153315-A1 MODIFIED C-3 BETULINIC ACID DERIVATIVES AS HIV MATURATION INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-08 — — WO disclosed