Isophthalic Acid

Isophthalic Acid

SCHEMBL28005851

O=C([O-])c1cccc(C(=O)[O-])c1.O=O.[Cd+2].c1c[nH]nn1.c1c[nH]nn1

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.37
▸ CA4 P22748 1/20 0.37
▸ P4HTM Q9NXG6 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM5C P41229 5/20 0.32
▸ KDM4C Q9H3R0 4/20 0.32
▸ KDM2A Q9Y2K7 4/20 0.32
▸ KDM3A Q9Y4C1 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ KDM4A O75164 3/20 0.32
▸ KDM6B O15054 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4B O94953 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ HIPK2 Q9H2X6 1/20 0.31
▸ USP2 O75604 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
Terephthalic Acid SCHEMBL28061238 0.84 CA2 (0.42) CA2CA4P4HTMTDP1CA1
Isophthalic Acid SCHEMBL28050876 0.81 CA12 (0.46) CA2KDM5CKDM4CKDM2AKDM3A
Terephthalic Acid SCHEMBL28056588 0.81 CA2 (0.47) CA2CA4P4HTMMEN1KMT2A
Isophthalic Acid SCHEMBL28119902 0.80 TP53 (0.47) CA2L3MBTL1KDM4CKDM4ETP53
SCHEMBL25170812 0.80 PARP1 (0.47) TDP1L3MBTL1MEN1KMT2APARP1
Isophthalic Acid SCHEMBL28064664 0.80 CA12 (0.44) CA2KDM5CKDM4CKDM2AKDM3A
Terephthalic Acid SCHEMBL28007787 0.78 CA2 (0.47) CA2CA4P4HTMMEN1KMT2A
Isophthalic Acid SCHEMBL28497817 0.76 CA2 (0.59) CA2CA4ATMTDP1L3MBTL1
Benzophenone SCHEMBL27762502 0.74 ALDH1A1 (0.54) ATMTDP1L3MBTL1KDM4EMEN1
Benzoic Acid SCHEMBL17495601 0.74 NAPRT (0.54) KDM5CKDM4CKDM2AKDM3AKDM4E

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-104610315-A Cadmium oxyether bistriazol isophthalate complex with potential fluorescent material and preparation method of complex UNIV TIANJIN NORMAL 2015-05-13 — — CN disclosed
CN-104610315-A Cadmium oxyether bistriazol isophthalate complex with potential fluorescent material and preparation method of complex UNIV TIANJIN NORMAL 2015-05-13 — — CN disclosed
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