SCHEMBL28696473

SCHEMBL28696473

OB(O)OB(O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV6 Q9H1D0 4/20 0.57
▸ ORAI1 Q96D31 3/20 0.57
▸ ORAI2 Q96SN7 3/20 0.57
▸ ORAI3 Q9BRQ5 3/20 0.57
▸ PCSK9 Q8NBP7 2/20 0.57
▸ ENPP2 Q13822 4/20 0.50
▸ CA4 P22748 2/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ CA1 P00915 5/20 0.38
▸ CA2 P00918 4/20 0.38
▸ MGLL Q99685 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TRPM2 O94759 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL1848691 0.89 TRPV6 (0.63) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL28610015 0.77 TRPV6 (0.56) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL263598 0.76 TRPV6 (0.52) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL28718291 0.76 TRPV6 (0.52) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL9362337 0.74 ENPP2 (0.50) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL184420 0.74 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL7908605 0.74 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL244920 0.74 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL56106 0.74 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3PCSK9
SCHEMBL1845171 0.74 TRPV6 (0.50) TRPV6ORAI1ORAI2ORAI3PCSK9

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-113956295-A Iridium metal complex, application thereof and organic electroluminescent device 清华大学 2022-01-21 — — CN disclosed
Send feedback