SCHEMBL29068506

SCHEMBL29068506

CCC(CC)OP(=O)(O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
SRC P12931 1/20 0.50
ALDH1A1 P00352 1/20 0.47
ANPEP P15144 2/20 0.46
LAP3 P28838 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL29068450 0.91 POLB (0.46) POLBSRCALDH1A1ANPEPLAP3
SCHEMBL13639980 0.87 POLB (0.48) POLBSRCALDH1A1ANPEPLAP3
SCHEMBL26334848 0.87 POLB (0.43) POLBSRCALDH1A1ANPEPLAP3
SCHEMBL28255869 0.87 POLB (0.43) POLBSRCALDH1A1ANPEPLAP3
SCHEMBL27848089 0.85 POLB (0.42) POLBSRC
SCHEMBL19619723 0.85 ANPEP (0.49) POLBSRCALDH1A1ANPEPLAP3
SCHEMBL11416970 0.85 ANPEP (0.49) POLBSRCALDH1A1ANPEPLAP3
SCHEMBL11719422 0.83 POLB (0.48) POLBSRCALDH1A1ANPEPLAP3
SCHEMBL3820265 0.82 L3MBTL1 (0.49) SRCANPEPLAP3L3MBTL1TDP1
SCHEMBL19214800 0.82 L3MBTL1 (0.49) SRCANPEPLAP3L3MBTL1TDP1

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
CN-119104404-A Phosphate fire-resistant oil component analysis method based on microwave digestion 华能铜川照金煤电有限公司 2024-12-10 CN disclosed
CN-116745025-A membrane for water filtration 水通道蛋白有限公司 2023-09-12 CN disclosed