SCHEMBL29068450

SCHEMBL29068450

CCCC(CC)OP(=O)(O)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
SRC P12931 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ANPEP P15144 2/20 0.42
LAP3 P28838 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL13639980 0.94 POLB (0.48) POLBSRCALDH1A1ANPEPLAP3
SCHEMBL29068506 0.91 POLB (0.50) POLBSRCALDH1A1ANPEPLAP3
SCHEMBL28255869 0.90 POLB (0.43) POLBSRCALDH1A1ANPEPLAP3
SCHEMBL27848089 0.89 POLB (0.42) POLBSRC
SCHEMBL27825321 0.88 POLB (0.44) POLBSRCALDH1A1ANPEPLAP3
SCHEMBL4652557 0.86 POLB (0.42) POLBSRC
SCHEMBL17200171 0.86 POLB (0.42) POLBSRC
SCHEMBL3823852 0.84 L3MBTL1 (0.44) POLBSRCANPEPLAP3L3MBTL1
SCHEMBL29068443 0.83 POLB (0.47) POLBSRCALDH1A1ANPEPLAP3
SCHEMBL11588832 0.82 SMPD1 (0.44) POLBSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745025-A membrane for water filtration 水通道蛋白有限公司 2023-09-12 CN disclosed