SCHEMBL1083393

SCHEMBL1083393

CCC(O)(C(=O)O)C(C)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.32
CPT2 P23786 1/20 0.32
ACLY P53396 1/20 0.32
LAP3 P28838 1/20 0.32
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
METAP1 P53582 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 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
SCHEMBL6654889 0.77 FDPS (0.33) FDPSLAP3BLMMETAP1MMP1
SCHEMBL9148021 0.76 CPT2 (0.40) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL1164584 0.75 CPT2 (0.38) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL17008763 0.75 CPT2 (0.38) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL19331402 0.75 CPT2 (0.38) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL10535147 0.73 CPT2 (0.41) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL260454 0.73 CPT2 (0.41) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL10535133 0.73 CPT2 (0.41) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL1083394 0.72 CPT2 (0.33) CPT2ACLYHSPD1BLMHSPE1
SCHEMBL20702119 0.71 CPT2 (0.35) CPT2ACLYHSPD1BLMHSPE1

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-2271741-A1 FERMENTIVE PRODUCTION OF FOUR CARBON ALCOHOLS BUTAMAX ADVANCED BIOFUELS LLC (US) 2011-01-12 EP disclosed
WO-2009134276-A1 FERMENTIVE PRODUCTION OF FOUR CARBON ALCOHOLS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-05 WO disclosed