SCHEMBL6911617

SCHEMBL6911617

CC[C@](O)(C(=O)O)C(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.37
ACLY P53396 1/20 0.37
BLM P54132 2/20 0.35
HSPD1 P10809 1/20 0.35
HSPE1 P61604 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
ODC1 P11926 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL6911619 1.00 CPT2 (0.37) CPT2ACLYBLMHSPD1HSPE1
SCHEMBL20702119 0.78 CPT2 (0.35) CPT2ACLYBLMHSPD1HSPE1
SCHEMBL19331402 0.77 CPT2 (0.38) CPT2ACLYBLMHSPD1HSPE1
SCHEMBL1164584 0.77 CPT2 (0.38) CPT2ACLYBLMHSPD1HSPE1
SCHEMBL17008763 0.77 CPT2 (0.38) CPT2ACLYBLMHSPD1HSPE1
SCHEMBL7807777 0.75 CPT2 (0.37) CPT2ACLYBLMODC1MAPT
SCHEMBL10535147 0.75 CPT2 (0.41) CPT2ACLYBLMHSPD1HSPE1
SCHEMBL10535133 0.75 CPT2 (0.41) CPT2ACLYBLMHSPD1HSPE1
SCHEMBL260454 0.75 CPT2 (0.41) CPT2ACLYBLMHSPD1HSPE1
SCHEMBL6913395 0.75 CPT2 (0.37) CPT2ACLYBLMHSPD1HSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818423-B2 LOW-MOLECULAR-WEIGHT C4-C6-KETONES DERIVATIZED WITH REMOVABLE GROUP ARE REACTED WITH CYANIDE GROUP DONOR IN PRESENCE OF HYDROXYNITRILE LYASE OR BY RACEMIC REACTION, ACIDIC HYDROLYSIS, OPTIONALLY RESOLUTION, AND CLEAVAGE OF THE GROUP DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AU) 2004-11-16 US disclosed
US-20030092142-A1 Process for the preparation of chiral alpha-hydroxycarboxylic acids DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-05-15 US disclosed
EP-1310477-A2 Process for the preparation of chiral alpha-hydroxycarboxylic acids DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-05-14 EP disclosed