SCHEMBL2224153

SCHEMBL2224153

CCCOc1ccc(C(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56
CYP2C19 P33261 1/20 0.56
FFAR1 O14842 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
LMNA P02545 3/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 2/20 0.54
ACACB O00763 3/20 0.50
ACACA Q13085 1/20 0.50
PLK1 P53350 1/20 0.49

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
SCHEMBL2275392 0.86 FFAR1 (0.58) SMN1; SMN2MMP9MMP8MMP13CYP2C19
SCHEMBL11278038 0.85 LMNA (0.58) SMN1; SMN2MMP9MMP8MMP13L3MBTL1
SCHEMBL2947981 0.84 SMN1; SMN2 (0.74) SMN1; SMN2MMP9MMP8MMP13CYP2C19
SCHEMBL6692772 0.84 MMP9 (0.57) SMN1; SMN2MMP9MMP8MMP13CYP2C19
SCHEMBL31437698 0.81 SMN1; SMN2 (0.53) SMN1; SMN2MMP9MMP8MMP13CYP2C19
SCHEMBL22799994 0.79 FFAR1 (0.73) FFAR1
SCHEMBL21121027 0.79 FFAR1 (0.73) FFAR1
SCHEMBL21121025 0.79 FFAR1 (0.73) FFAR1
SCHEMBL2226074 0.79 L3MBTL1 (0.68) FFAR1L3MBTL1POLB
SCHEMBL11075541 0.79 LMNA (0.66) SMN1; SMN2MMP9MMP8MMP13LMNA

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
WO-2011085445-A1 FLOTATION REAGENTS TEEBEE HOLDINGS PTY LTD (AU) 2011-07-21 WO claimed
WO-2011085445-A1 FLOTATION REAGENTS TEEBEE HOLDINGS PTY LTD (AU) 2011-07-21 WO disclosed