SCHEMBL8379342

SCHEMBL8379342

[NH]c1ccc(C(=O)O)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.64
CA1 P00915 4/20 0.64
CA2 P00918 4/20 0.64
CA6 P23280 4/20 0.64
CA9 Q16790 4/20 0.64
CA4 P22748 3/20 0.64
CA7 P43166 3/20 0.64
CA14 Q9ULX7 3/20 0.64
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
POLB P06746 2/20 0.64
GAA P10253 1/20 0.64
PTGS2 P35354 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TP53 P04637 2/20 0.50
CA3 P07451 2/20 0.50
CA5A P35218 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL2771199 0.78 CA12 (0.73) CA12CA1CA2CA6CA9
Protocatechuic Acid SCHEMBL30030432 0.78 CA12 (1.00) CA12CA1CA2CA6CA9
Protocatechuic Acid SCHEMBL27815804 0.78 CA12 (1.00) CA12CA1CA2CA6CA9
Protocatechuic Acid SCHEMBL29350008 0.78 CA12 (1.00) CA12CA1CA2CA6CA9
Protocatechuic Acid SCHEMBL39435 0.78 CA12 (1.00) CA12CA1CA2CA6CA9
SCHEMBL714771 0.77 KDM4E (0.52) CA12CA1CA2CA6CA9
Protocatechuic Acid SCHEMBL23495982 0.76 CA12 (0.95) CA12CA1CA2CA6CA9
Protocatechuic Acid SCHEMBL9491440 0.76 CA12 (0.95) CA12CA1CA2CA6CA9
Protocatechuic Acid SCHEMBL2274950 0.76 CA12 (0.95) CA12CA1CA2CA6CA9
Protocatechuic Acid SCHEMBL30767247 0.76 CA12 (0.95) CA12CA1CA2CA6CA9

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
EP-0881268-A1 Fiber-reactive triphendioxazine dyes, process for their preparation and the use thereof DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1998-12-02 EP claimed
US-5972048-A Fiber-reactive triphendioxazine dyes, preparation thereof and use thereof DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1999-10-26 US disclosed
EP-0881268-A1 Fiber-reactive triphendioxazine dyes, process for their preparation and the use thereof DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1998-12-02 EP disclosed