SCHEMBL28545103

SCHEMBL28545103

OC=CCOB(O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.39
ORAI2 Q96SN7 3/20 0.39
ORAI3 Q9BRQ5 3/20 0.39
TRPV6 Q9H1D0 3/20 0.39
PCSK9 Q8NBP7 2/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
ENPP2 Q13822 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TRPM2 O94759 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL9941405 0.85 TRPV6 (0.37) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL9941370 0.82 AKT1 (0.40) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL2143307 0.80 CYP3A4 (0.40) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL11904863 0.80 ORAI1 (0.39) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL363448 0.74 TRPV6 (0.46) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL1660275 0.72 TRPV6 (0.44) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL1722636 0.72 PCSK9 (0.45) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL1129435 0.72 TRPV6 (0.44) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL1756154 0.72 KDM4E (0.47) ORAI1ORAI2ORAI3TRPV6PCSK9
Hydrochloric Acid SCHEMBL2526776 0.71 KMT2A (0.45) ORAI1ORAI2ORAI3TRPV6PCSK9

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-112656952-B Nano medicine and its preparing method and use 四川省人民医院 2022-06-17 CN disclosed
CN-112656952-A Nano medicine and its preparing method and use 四川省人民医院 2021-04-16 CN disclosed