SCHEMBL7540835

SCHEMBL7540835

O=C(O)CC(Cc1ccccc1)C(O)=S

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 4/20 0.72
CPA3 P15088 3/20 0.72
CPB1 P15086 1/20 0.72
CPB2 Q96IY4 1/20 0.72
CYP1A2 P05177 1/20 0.59
LTA4H P09960 2/20 0.55
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP12 P39900 1/20 0.54
FOLH1 Q04609 2/20 0.52
MME P08473 2/20 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
SCHEMBL6154517 0.85 CYP1A2 (0.55) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL6155724 0.85 CYP1A2 (0.55) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL21758201 0.85 CYP1A2 (0.55) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL6154524 0.85 CYP1A2 (0.55) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL1915564 0.84 CPA1 (1.00) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL5688996 0.84 CPA1 (1.00) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL7540825 0.84 CYP1A2 (0.52) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL393002 0.84 CPA1 (1.00) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL11129057 0.84 TSHR (0.59) CPA1CPA3CPB1CPB2CYP1A2
SCHEMBL11262596 0.84 TSHR (0.59) CPA1CPA3CPB1CPB2CYP1A2

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
CN-115557617-A Reverse osmosis membrane scale and corrosion inhibitor for recycling phosphorus-containing reclaimed water and preparation method thereof 河北省科学院能源研究所 2023-01-03 CN claimed
CN-115557617-A Reverse osmosis membrane scale and corrosion inhibitor for recycling phosphorus-containing reclaimed water and preparation method thereof 河北省科学院能源研究所 2023-01-03 CN disclosed
CN-115557617-A Reverse osmosis membrane scale and corrosion inhibitor for recycling phosphorus-containing reclaimed water and preparation method thereof 河北省科学院能源研究所 2023-01-03 CN disclosed
EP-1207909-A2 METHOD FOR COUPLING MOLECULES MEDICAL RESEARCH COUNCIL (GB) 2002-05-29 EP disclosed
WO-2001015737-A2 METHOD FOR COUPLING MOLECULES MEDICAL RESEARCH COUNCIL (GB) 2001-03-08 WO disclosed