SCHEMBL28025599

SCHEMBL28025599

C=C(C)C(=O)C(O)COP(=O)(O)Oc1ccccc1.[H+]

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ANPEP P15144 2/20 0.41
LAP3 P28838 2/20 0.41
SRC P12931 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL10765889 0.80 PGK1 (0.42)
SCHEMBL28287198 0.80 DGAT1 (0.39) ALDH1A1POLBHPGD
SCHEMBL28104031 0.80 ANPEP (0.43) ALDH1A1ANPEPLAP3SRCL3MBTL1
SCHEMBL28439359 0.78 ALDH1A1 (0.46) ALDH1A1ANPEPLAP3SRCL3MBTL1
SCHEMBL28195289 0.77 PLA2G2A (0.40)
SCHEMBL4630199 0.75 ANPEP (0.54) ALDH1A1ANPEPLAP3SRCL3MBTL1
SCHEMBL27997830 0.75 PGK1 (0.55)
SCHEMBL1614773 0.74 BTN3A1 (0.49)
SCHEMBL11860852 0.73 PGK1 (0.57)
SCHEMBL105672 0.73 ALDH1A1 (0.49) ALDH1A1ANPEPLAP3SRCL3MBTL1

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-107531851-A Ionic composite material having ability to inhibit attachment of biomaterial and method for producing same 日产化学工业株式会社 2018-01-02 CN disclosed
CN-103118626-B Dental mill blank KURARAY NORITAKE DENTAL INC. (JP) 2015-08-05 CN disclosed