SCHEMBL4608014

SCHEMBL4608014

COC(=O)C(CC(=O)O)Cc1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.50
CPA1 P15085 2/20 0.47
CPB1 P15086 1/20 0.47
CPA3 P15088 1/20 0.47
CPB2 Q96IY4 1/20 0.47
NLRP3 Q96P20 1/20 0.46
LTA4H P09960 2/20 0.45
KMT2A Q03164 1/20 0.44
SPR P35270 1/20 0.44
EGFR P00533 1/20 0.43
GRIA2 P42262 1/20 0.43
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42

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
SCHEMBL2398335 0.85 CPA1 (0.66) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL1914987 0.85 CPA1 (0.66) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL901408 0.85 CPA1 (0.66) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL9022613 0.84 TAAR1 (0.51) FOLH1KMT2A
SCHEMBL23792279 0.84 FOLH1 (0.48) FOLH1NLRP3KMT2ASPRGRIA2
SCHEMBL3965849 0.82 ESR1 (0.58) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL28421488 0.82 FOLH1 (0.47) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL4608267 0.81 HTR2A (0.53) FOLH1KMT2A
SCHEMBL3959231 0.81 HTR2A (0.53) FOLH1KMT2A
SCHEMBL6384666 0.80 NLRP3 (0.51) NLRP3KMT2ASPREGFRGRIA2

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 5 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-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 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