SCHEMBL4737472

SCHEMBL4737472

Cc1ccc(C(C)C)c(OC(=O)c2cc(O)c(O)c(O)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.54
PRSS1 P07477 1/20 0.53
ACR P10323 1/20 0.53
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.49
POLA1 P09884 1/20 0.49
ANTXR2 P58335 1/20 0.49
TRPA1 O75762 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 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
SCHEMBL29910673 0.82 LMNA (0.61) PRSS1ACRLMNAL3MBTL1
SCHEMBL249466 0.82 LMNA (0.61) PRSS1ACRLMNAL3MBTL1
SCHEMBL4734269 0.82 SERPINE1 (0.60) SERPINE1LMNAL3MBTL1POLBPOLA1
SCHEMBL29910599 0.80 PRSS1 (0.56) PRSS1ACRLMNAL3MBTL1
SCHEMBL20735025 0.80 PRSS1 (0.56) PRSS1ACRLMNAL3MBTL1
SCHEMBL4737425 0.79 SERPINE1 (0.61) SERPINE1LMNAL3MBTL1POLBPOLA1
SCHEMBL4733327 0.79 SERPINE1 (0.60) SERPINE1LMNAL3MBTL1POLBPOLA1
SCHEMBL18230884 0.78 POLB (0.66) SERPINE1LMNAL3MBTL1POLBPOLA1
SCHEMBL23828868 0.78 LMNA (0.58) LMNAL3MBTL1
SCHEMBL18668839 0.78 LMNA (0.58) LMNAL3MBTL1

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-2008065527-A2 GALLIC ACID ESTERS OF FRAGRANT ALCOHOLS GHISALBERTI CARLO (BR) 2008-06-05 WO disclosed