SCHEMBL14631900

SCHEMBL14631900

CC[C@H]1C[C@@]1(NC(=O)OC(C)(C)CC)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.34

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
SCHEMBL1687973 0.88 KMT2A (0.39) LPAR1
SCHEMBL1636182 0.88 KMT2A (0.39) LPAR1
SCHEMBL12891851 0.88 KMT2A (0.39) LPAR1
SCHEMBL2511482 0.88 KMT2A (0.39) LPAR1
SCHEMBL14631781 0.79
SCHEMBL28564855 0.77 KMT2A (0.40)
SCHEMBL7897717 0.77 KMT2A (0.38)
SCHEMBL6838872 0.76 MEN1 (0.39)
SCHEMBL6838875 0.76 MEN1 (0.39)
SCHEMBL12891846 0.76 KMT2A (0.39)

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-2028186-B1 Hepatitis C inhibitor tri-peptides BOEHRINGER INGELHEIM CA LTD (CA) 2013-01-23 EP claimed