SCHEMBL29243113

SCHEMBL29243113

BrOB(Oc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.39
ORAI1 Q96D31 2/20 0.37
ORAI2 Q96SN7 2/20 0.37
ORAI3 Q9BRQ5 2/20 0.37
TRPV6 Q9H1D0 2/20 0.37
LTA4H P09960 2/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
ENPP2 Q13822 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
KCNA3 P22001 1/20 0.31

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
SCHEMBL734634 0.85 CA4 (0.46) CA4ORAI1ORAI2ORAI3TRPV6
SCHEMBL2744416 0.83 ORAI1 (0.46) CA4ORAI1ORAI2ORAI3TRPV6
SCHEMBL29113661 0.81 TRPV6 (0.46) CA4ORAI1ORAI2ORAI3TRPV6
SCHEMBL3888387 0.77 CA4 (0.50) CA4ORAI1ORAI2ORAI3TRPV6
SCHEMBL8962832 0.76 ALDH1A1 (0.42) CA4LTA4HTSHRCA1CA2
SCHEMBL27413707 0.74 CA4 (0.40) CA4ORAI1ORAI2ORAI3TRPV6
SCHEMBL14983501 0.74 CA4 (0.58) CA4LTA4HCA1CA2CA7
SCHEMBL1400376 0.74 MAOA (0.56) CA4TSHRCA1CA2
SCHEMBL10389747 0.73 LTA4H (0.41) CA4ORAI1ORAI2ORAI3TRPV6
SCHEMBL14983380 0.73 CA1 (0.48) CA4LTA4HTSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120114470-A Pharmaceutical composition for inhibiting NFKBIZ gene expression and application 张川 2025-06-10 CN disclosed
CN-118767151-A Pharmaceutical composition for inhibiting TGFBI gene expression and application thereof 上海交通大学 2024-10-15 CN disclosed
CN-118059118-A Pharmaceutical composition for inhibiting NFKBIZ gene expression and application 上海交通大学 2024-05-24 CN disclosed