SCHEMBL23399574

SCHEMBL23399574

CCCc1c(-c2cccc(C)c2)[nH]n(CC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
MAPK14 Q16539 5/20 0.39
ALDH1A1 P00352 2/20 0.38
DAO P14920 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HPGD P15428 1/20 0.34
NOTUM Q6P988 1/20 0.34
KMT2A Q03164 1/20 0.34
CDC7 O00311 1/20 0.33

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
SCHEMBL23398839 0.91 CYBB (0.43) CYBBNOX4NOX1MAPK14ALDH1A1
SCHEMBL23399430 0.89 MAPK14 (0.40) MAPK14ALDH1A1DAOKDM4ETHRB
SCHEMBL23403261 0.87 CYBB (0.40) CYBBNOX4NOX1MAPK14ALDH1A1
SCHEMBL23402573 0.85 CYBB (0.44) CYBBNOX4NOX1MAPK14ALDH1A1
SCHEMBL23400665 0.84 CYBB (0.58) CYBBNOX4NOX1ALDH1A1KDM4E
SCHEMBL23398797 0.84 KDM4E (0.41) CYBBNOX4NOX1MAPK14ALDH1A1
SCHEMBL23402942 0.84 MEN1 (0.45) CYBBNOX4NOX1MAPK14ALDH1A1
SCHEMBL23398951 0.84 MAPK14 (0.38) MAPK14ALDH1A1DAOKDM4ETHRB
SCHEMBL23398773 0.83 MAPK14 (0.42) MAPK14ALDH1A1DAOKDM4ENOTUM
SCHEMBL23401682 0.83 CYBB (0.47) CYBBNOX4NOX1ALDH1A1DAO

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed