SCHEMBL29375401

SCHEMBL29375401

COc1ccc(C(=O)O)nc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
ECE1 P42892 7/20 0.50
CTSA P10619 2/20 0.49
ALOX15 P16050 2/20 0.46
KMO O15229 2/20 0.46
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
GPR35 Q9HC97 1/20 0.42

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
SCHEMBL1759891 1.00 KDM4E (0.66) KDM4EL3MBTL1ECE1CTSAALOX15
Hydrochloric Acid SCHEMBL7225758 0.98 KDM4E (0.64) KDM4EL3MBTL1ECE1CTSAALOX15
SCHEMBL73021 0.85 KDM4E (0.47) KDM4EL3MBTL1ECE1CTSAALDH1A1
SCHEMBL7236303 0.84 CTSA (0.48) KDM4EL3MBTL1CTSAALDH1A1MAPT
SCHEMBL7225755 0.82 KDM4E (0.45) KDM4EL3MBTL1ECE1CTSAALDH1A1
SCHEMBL16741093 0.82 KDM4E (0.49) KDM4EL3MBTL1ECE1CTSAKMO
SCHEMBL2816376 0.81 KMO (0.49) KDM4EL3MBTL1CTSAALOX15KMO
SCHEMBL7234015 0.79 KDM4E (0.68) KDM4EL3MBTL1ECE1ALOX15ALDH1A1
SCHEMBL13363185 0.79 KDM4E (0.68) KDM4EL3MBTL1ECE1ALOX15ALDH1A1
SCHEMBL7225742 0.79 KDM4E (1.00) KDM4EL3MBTL1ECE1ALOX15ALDH1A1

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
EP-3946301-A1 REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS The University of Chicago (US) 2022-02-09 EP disclosed