Anisole

Anisole

SCHEMBL7305932

CC(C)(C)ONC(=O)C1CCCCC1S.COc1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP9 P14780 4/20 0.40
MMP13 P45452 3/20 0.40
MMP1 P03956 2/20 0.40
SCN9A Q15858 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MMP2 P08253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
MMP7 P09237 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL7305924 0.76 CTSK (0.43) MEN1KMT2ANPSR1MMP9MMP13
SCHEMBL7305247 0.75 MMP9 (0.70) MMP9MMP13MMP1MMP2SMN1; SMN2
SCHEMBL7310802 0.73 MMP2 (0.41) MEN1KMT2ANPSR1MMP9MMP13
SCHEMBL7302689 0.72 MMP9 (0.74) MMP9MMP13MMP1SCN9AMMP2
SCHEMBL7302697 0.72 MMP9 (0.74) MMP9MMP13MMP1SCN9AMMP2
SCHEMBL31544498 0.65 SMN1; SMN2 (0.53) MMP9MMP13MMP1ALDH1A1MMP2
SCHEMBL24283531 0.63 SMN1; SMN2 (0.58) FNTAFNTBALDH1A1SMN1; SMN2MAPK1
Anisole SCHEMBL6951633 0.63 CA4 (0.64) KMT2ANPSR1ALDH1A1SMN1; SMN2MAPK1
Anisole SCHEMBL28158707 0.63 CA4 (0.64) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL28963089 0.63 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HSP90AA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed