SCHEMBL7942520

SCHEMBL7942520

Cc1cc(O)c(O)c(C(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.61
GABRB2 P47870 4/20 0.61
SELL P14151 1/20 0.59
SELP P16109 1/20 0.59
SELE P16581 1/20 0.59
LMNA P02545 3/20 0.56
SLC6A2 P23975 2/20 0.56
HTR2B P41595 2/20 0.56
TRPA1 O75762 1/20 0.56
CHRM1 P11229 1/20 0.56
ADRA1A P35348 1/20 0.56
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
GABRB1 P18505 4/20 0.48
ACHE P22303 1/20 0.46
GAA P10253 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL544651 0.87 CA1 (0.67) GABRA1GABRB2SELLSELPSELE
SCHEMBL15894579 0.86 SELL (0.59) GABRA1GABRB2SELLSELPSELE
SCHEMBL19439615 0.82 CA1 (0.48) GABRA1GABRB2SELLSELPSELE
SCHEMBL4402447 0.81 CA1 (0.52) GABRA1GABRB2SELLSELPSELE
SCHEMBL27502459 0.81 SELL (0.59) GABRA1GABRB2SELLSELPSELE
SCHEMBL12352193 0.81 CA1 (0.58) GABRA1GABRB2SELLSELPSELE
SCHEMBL4612220 0.81 CA1 (0.52) GABRA1GABRB2SELLSELPSELE
SCHEMBL18357201 0.81 ACHE (0.59) GABRA1GABRB2SELLSELPSELE
SCHEMBL4623974 0.81 LMNA (0.56) GABRA1GABRB2SELLSELPSELE
SCHEMBL1487428 0.79 LMNA (0.54) GABRA1GABRB2SELLSELPSELE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013083585-A1 ANTIMICROBIAL COMPOSITION UNILEVER N.V. (NL) 2013-06-13 WO claimed
WO-2013092427-A2 ANTIMICROBIAL METHOD AND COMPOSITION UNILEVER N.V. (NL) 2013-06-27 WO disclosed
WO-2013083585-A1 ANTIMICROBIAL COMPOSITION UNILEVER N.V. (NL) 2013-06-13 WO disclosed
WO-2013083585-A1 ANTIMICROBIAL COMPOSITION UNILEVER N.V. (NL) 2013-06-13 WO disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed