SCHEMBL2224882

SCHEMBL2224882

Cc1ccc(C(CC(=O)O)P(=O)(O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
GAA P10253 1/20 0.44
ACP3 P15309 2/20 0.43
CYP26A1 O43174 1/20 0.43
ACHE P22303 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
MMP8 P22894 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
SCHEMBL11297322 0.83 ACP3 (0.61) ACP3
SCHEMBL778603 0.79 KMT2A (0.51) ACP3
SCHEMBL21616501 0.78 CA12 (0.43) ACP3CA12CA1MMP8
SCHEMBL2225557 0.77 POLB (0.44) FFAR1GAACYP26A1ACHE
SCHEMBL10908214 0.77 FFAR1 (0.54) FFAR1GAACYP26A1ACHE
SCHEMBL2223571 0.75 FNTA (0.54) FFAR1CYP26A1ACHE
SCHEMBL25152959 0.73 ACHE (0.67) FFAR1CYP26A1ACHE
SCHEMBL12883165 0.73 ACHE (0.67) FFAR1CYP26A1ACHE
SCHEMBL3883725 0.73 CA12 (0.46) GAAACP3CA12CA1MMP8
SCHEMBL7559049 0.73 ACHE (0.67) FFAR1CYP26A1ACHE

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