SCHEMBL4607364

SCHEMBL4607364

COC(=O)C(CC(=O)O)Cc1cc(C)c(O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
CPA1 P15085 2/20 0.39
CPB1 P15086 1/20 0.39
CPA3 P15088 1/20 0.39
CPB2 Q96IY4 1/20 0.39
HMGB1 P09429 1/20 0.38
CXCL12 P48061 1/20 0.38
FOLH1 Q04609 1/20 0.38
LTA4H P09960 2/20 0.38
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4488443 0.90 KMT2A (0.38) KMT2ACPA1CPB1CPA3CPB2
SCHEMBL4488445 0.90 KMT2A (0.38) KMT2ACPA1CPB1CPA3CPB2
SCHEMBL4609155 0.84 POLB (0.41) KMT2ACPA1CPB1CPA3CPB2
SCHEMBL3960108 0.84 POLB (0.41) KMT2ACPA1CPB1CPA3CPB2
SCHEMBL4490964 0.79 LMNA (0.46) KMT2ACPA1CPB1CPA3CPB2
SCHEMBL4490962 0.79 LMNA (0.46) KMT2ACPA1CPB1CPA3CPB2
SCHEMBL3965849 0.78 ESR1 (0.58) KMT2ACPA1CPB1CPA3CPB2
SCHEMBL901408 0.78 CPA1 (0.66) KMT2ACPA1CPB1CPA3CPB2
SCHEMBL1914987 0.78 CPA1 (0.66) KMT2ACPA1CPB1CPA3CPB2
SCHEMBL2398335 0.78 CPA1 (0.66) KMT2ACPA1CPB1CPA3CPB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
CN-1129605-C Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 2003-12-03 CN disclosed
CN-1230196-A Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 1999-09-29 CN disclosed