SCHEMBL23401682

SCHEMBL23401682

CCCc1c(-c2ccc(C)cc2)[nH]n(CC)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYBB P04839 1/20 0.47
NOX4 Q9NPH5 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
ADORA2A P29274 3/20 0.38
ADORA2B P29275 3/20 0.38
DCTPP1 Q9H773 1/20 0.36
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
DAO P14920 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 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
SCHEMBL23403197 0.93 CYBB (0.40) CYBBNOX4NOX1HSD17B10KDM4E
SCHEMBL23401213 0.90 CYBB (0.46) CYBBNOX4NOX1HSD17B10KDM4E
SCHEMBL23401104 0.88 RAB9A (0.36) CYBBNOX4NOX1HSD17B10KDM4E
SCHEMBL23403001 0.87 CYBB (0.44) CYBBNOX4NOX1HSD17B10KDM4E
SCHEMBL23400665 0.86 CYBB (0.58) CYBBNOX4NOX1HSD17B10KDM4E
SCHEMBL23399909 0.86 CYBB (0.43) CYBBNOX4NOX1HSD17B10KDM4E
SCHEMBL23399323 0.83 CYBB (0.48) CYBBNOX4NOX1HSD17B10KDM4E
SCHEMBL23399574 0.83 CYBB (0.43) CYBBNOX4NOX1HSD17B10KDM4E
SCHEMBL23401807 0.82 ADORA2A (0.34) CYBBNOX4NOX1HSD17B10KDM4E
SCHEMBL23400635 0.81 KDM4E (0.42) HSD17B10KDM4EALDH1A1TSHRNPC1

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