SCHEMBL256644

SCHEMBL256644

CCOC(=O)CCC(F)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
ALDH1A1 P00352 3/20 0.40
TRPA1 O75762 1/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS2 P35354 1/20 0.40
PDE4D Q08499 1/20 0.40
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL14418631 0.89 CYP1A2 (0.50) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL15536758 0.81 L3MBTL1 (0.52) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL5000141 0.79 L3MBTL1 (0.50) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL3101104 0.78 L3MBTL1 (0.53) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL27622392 0.78 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL10406964 0.78 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL5233113 0.78 KMT2A (0.49) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL28456840 0.78 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL22122792 0.76 L3MBTL1 (0.47) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL19914781 0.75 L3MBTL1 (0.44) L3MBTL1KMT2APOLBCYP1A2MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030106-A2 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT LG LIFE SCIENCES LTD. (KR) 2012-03-08 WO disclosed