SCHEMBL29911642

SCHEMBL29911642

O=C(O)c1cccc(-c2cncc(-c3cccc(C(=O)O)c3)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.74
RXRA P19793 2/20 0.58
RXRB P28702 2/20 0.58
MKNK1 Q9BUB5 2/20 0.54
MKNK2 Q9HBH9 2/20 0.54
AXL P30530 1/20 0.52
CD74 P04233 1/20 0.51
MIF P14174 1/20 0.51
DDT P30046 1/20 0.51
MAP4K4 O95819 1/20 0.51
IKBKE Q14164 1/20 0.50
TBK1 Q9UHD2 1/20 0.50
DHODH Q02127 1/20 0.50
KEAP1 Q14145 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CHEK1 O14757 1/20 0.50
ERN1 O75460 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
SCHEMBL29725579 1.00 KMO (0.74) KMORXRARXRBMKNK1MKNK2
SCHEMBL1132812 0.96 KMO (0.79) KMORXRARXRBMKNK1MKNK2
SCHEMBL26106998 0.88 KMO (0.64) KMORXRARXRBMKNK1MKNK2
SCHEMBL29152908 0.88 KMO (0.91) KMORXRARXRBCD74MIF
SCHEMBL941437 0.87 KMO (0.72) KMORXRARXRBAXLCD74
SCHEMBL16429234 0.86 KMO (0.87) KMORXRARXRBCD74MIF
SCHEMBL29904709 0.85 KMO (0.86) KMORXRARXRBCD74MIF
SCHEMBL30725957 0.85 KMO (0.86) KMORXRARXRBCD74MIF
SCHEMBL71238 0.85 KMO (0.86) KMORXRARXRBCD74MIF
SCHEMBL206541 0.85 KMO (1.00) KMORXRARXRBMKNK1MKNK2

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
CN-110903173-B Method for preparing L-menthone from R-citronellal 万华化学集团股份有限公司 2022-09-16 CN disclosed