SCHEMBL9520089

SCHEMBL9520089

CC(O[C@@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
LGALS9 O00182 1/20 0.40
LGALS1 P09382 1/20 0.40
LGALS3 P17931 1/20 0.40
LGALS7; LGALS7B P47929 1/20 0.40
SYNJ2 O15056 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ABL1 P00519 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
ALPI P09923 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALPG P10696 1/20 0.39
PABPC1 P11940 1/20 0.39
RECQL P46063 1/20 0.39
GALK1 P51570 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL13560566 0.90 MAPK1 (0.41) MAPK1SYNJ2KDM4EABL1ALPL
SCHEMBL3636324 0.80 SYNJ2 (0.59) SYNJ2KDM4EABL1ALPLPOLB
SCHEMBL1239229 0.80 SYNJ2 (0.43) SYNJ2KDM4EABL1ALPLPOLB
SCHEMBL8218275 0.78 SLC6A2 (0.43) SYNJ2KDM4EABL1ALPLPOLB
SCHEMBL20225121 0.76 MAPK1 (0.48) MAPK1LGALS9LGALS1LGALS3LGALS8
SCHEMBL27798327 0.74 TYR (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL1239221 0.74 SYNJ2 (0.53) SYNJ2KDM4EABL1ALPLPOLB
SCHEMBL5336720 0.74 SYNJ2 (0.53) SYNJ2KDM4EABL1ALPLPOLB
SCHEMBL9838031 0.73 PTPN1 (0.38) MAPK1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL7164875 0.73 PTPN1 (0.38) MAPK1LGALS9LGALS1LGALS3LGALS7; LGALS7B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302253-B1 3-DEMETHYL-4-FLUORO-MEVALONIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS BASED ON THOSE COMPOUNDS, THEIR USE AND INTERMEDIATES HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-07 EP disclosed
US-4898868-A ANTICHOLESTEROL AGENTS; LACTONE OR FREE ACID FORM HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-06 US disclosed