SCHEMBL6680608

SCHEMBL6680608

CCC(CC(=O)O)OC(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
LMNA P02545 2/20 0.44
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP12 P39900 2/20 0.40
MMP8 P22894 1/20 0.40
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
KLK7 P49862 1/20 0.38
HTT P42858 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
SCHEMBL6683066 0.79 GABBR2 (0.44) FFAR1LMNAGABBR2GABBR1KMT2A
SCHEMBL13574482 0.76 GABBR2 (0.44) FFAR1LMNAGABBR2GABBR1KMT2A
SCHEMBL3043003 0.75 LMNA (0.41) LMNAMEN1KMT2AMAPT
SCHEMBL3247137 0.74 TSHR (0.46) FFAR1MMP12MAPT
SCHEMBL21558227 0.73 LMNA (0.52) LMNAPOLBMEN1KMT2ACYP2C19
SCHEMBL12136516 0.71 SLC1A3 (0.46) FFAR1MEN1KMT2AMMP12CYP2C19
SCHEMBL28790050 0.71 SLC1A3 (0.46) FFAR1MEN1KMT2AMMP12CYP2C19
SCHEMBL27536027 0.71 TSHR (0.50) LMNAPOLBMEN1KMT2AMMP12
O-Xylene SCHEMBL28049781 0.71 MMP12 (0.51) FFAR1LMNAPOLBMEN1KMT2A
SCHEMBL2948187 0.71 FFAR1 (0.63) FFAR1LMNAPOLBMEN1KMT2A

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
WO-2004044031-A1 NEW POLYHYDROXYALKANOATE COMPRISING UNIT HAVING (PHENYLMETHYL)OXY STRUCTURE ON SIDE CHAIN THEREOF, AND METHOD FOR PRODUCING THE SAME CANON KABUSHIKI KAISHA (JP) 2004-05-27 WO claimed
WO-2004044031-A1 NEW POLYHYDROXYALKANOATE COMPRISING UNIT HAVING (PHENYLMETHYL)OXY STRUCTURE ON SIDE CHAIN THEREOF, AND METHOD FOR PRODUCING THE SAME CANON KABUSHIKI KAISHA (JP) 2004-05-27 WO disclosed
WO-2004044213-A1 NOVEL POLYHYDROXY ALKANOATE COPOLYMER INCLUDING WITHIN MOLECULE UNIT HAVING VINYL GROUP OR CARBOXYL GROUP IN SIDE CHAIN, AND PRODUCING METHOD THEREFOR CANON KABUSHIKI KAISHA (JP) 2004-05-27 WO disclosed