SCHEMBL28292381

SCHEMBL28292381

C=CCC(=O)C(O)C(O)C(O)CO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.30

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
SCHEMBL1843798 1.00 PDE4A (0.43) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL18825591 1.00 PDE4A (0.43) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL858818 1.00 PDE4A (0.43) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL27438858 0.94 PDE4A (0.52) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL1704734 0.94 PDE4A (0.52) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL1062215 0.94 PDE4A (0.52) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL8658675 0.92 PDE4A (0.50) PDE4ALMNAL3MBTL1TDP1USP2
Bicarbonate SCHEMBL30050792 0.90 PDE4A (0.53) PDE4ALMNAL3MBTL1TDP1USP2
Acrylamide SCHEMBL6682076 0.86 PDE4A (0.44) PDE4ALMNAL3MBTL1TDP1USP2
Fructose SCHEMBL9263130 0.79 CYP2C9 (0.48) PDE4ALMNAL3MBTL1TDP1USP2

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-110167600-A The composition for being used to enhance melanin comprising specific siRNA 株式会社爱茉莉太平洋 2019-08-23 CN disclosed
CN-109568160-A The high bright coloured silk of humidity-preserving type repairs Rong Shuan and preparation method thereof 共聚生化科技(昆山)有限公司 2019-04-05 CN disclosed