SCHEMBL6063153

SCHEMBL6063153

CC(C)C=C(OCc1ccccc1)C(=O)O.CCOC(=CC(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 5/20 0.49
HCAR2 Q8TDS4 1/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
POLB P06746 1/20 0.41
MMP8 P22894 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL6063149 1.00 L3MBTL1 (0.51) L3MBTL1LMNAALDH1A1HCAR2KMT2A
SCHEMBL10898992 0.94 ALDH1A1 (0.55) L3MBTL1LMNAALDH1A1HCAR2KMT2A
SCHEMBL14498309 0.94 ALDH1A1 (0.55) L3MBTL1LMNAALDH1A1HCAR2KMT2A
SCHEMBL6063156 0.88 ALDH1A1 (0.46) L3MBTL1LMNAALDH1A1HCAR2KMT2A
SCHEMBL14498308 0.79 ALDH1A1 (0.60) L3MBTL1LMNAALDH1A1HCAR2KMT2A
SCHEMBL18652196 0.78 ALDH1A1 (0.43) L3MBTL1LMNAALDH1A1HCAR2KMT2A
SCHEMBL6122148 0.78 ALDH1A1 (0.55) L3MBTL1LMNAALDH1A1HCAR2KMT2A
SCHEMBL2351830 0.78 ALDH1A1 (0.55) L3MBTL1LMNAALDH1A1HCAR2KMT2A
SCHEMBL2351841 0.78 ALDH1A1 (0.55) L3MBTL1LMNAALDH1A1HCAR2KMT2A
SCHEMBL12674439 0.77 ALDH1A1 (0.58) L3MBTL1LMNAALDH1A1HCAR2KMT2A

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-1687250-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS Takasago International Corporation (JP) 2006-08-09 EP disclosed
WO-2005051882-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-09 WO disclosed