Anisole

Anisole

SCHEMBL9876579

CC(C)C.CCC.CCCC.COc1ccccc1.O=S(=O)(Cl)Cl.O=S(=O)(Cl)Cl.O=S(=O)(Cl)Cl.O=S(=O)(Cl)Cl

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.50
LTA4H P09960 2/20 0.44
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
MMP13 P45452 2/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 1/20 0.40
PGR P06401 2/20 0.40
HSD11B1 P28845 1/20 0.40
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.39
CASP3 P42574 1/20 0.39
MMP1 P03956 1/20 0.39

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
Anisole SCHEMBL415394 0.84 CA4 (0.70) CA4LTA4HHTTALDH1A1NFE2L2
Anisole SCHEMBL11151351 0.80 CA4 (0.78) CA4LTA4HHTT
Anisole SCHEMBL27562012 0.78 CA4 (0.82) CA4LTA4HHTT
SCHEMBL3109435 0.77 LTA4H (0.75) CA4LTA4HHTTALDH1A1MMP13
Anisole SCHEMBL640408 0.77 CA4 (0.64) CA4LTA4HHTTMMP13NFE2L2
Anisole SCHEMBL28273151 0.76 CA4 (0.78) CA4LTA4HHTTALDH1A1KMT2A
Anisole SCHEMBL27711021 0.74 CA4 (0.74) CA4LTA4HHTT
Anisole SCHEMBL28222149 0.74 CA4 (0.74) CA4LTA4HHTTALDH1A1KEAP1
1,4-Dimethoxybenzene SCHEMBL5960077 0.73 CA1 (0.65) CA4ALDH1A1MMP13MMP1
SCHEMBL6291039 0.73 BACE1 (0.59) CA4LTA4HHTTALDH1A1MMP13

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
US-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed