SCHEMBL8955232

SCHEMBL8955232

COCOc1ccc([Sn](C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ FYN P06241 4/20 0.33
▸ TSHR P16473 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ FFAR1 O14842 1/20 0.30

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
SCHEMBL3589633 0.83 NQO1 (0.50) NQO1MMP2MMP3MMP9MMP14
SCHEMBL5951811 0.77 NQO1 (0.67) NQO1TSHRTDP1CA12CA1
SCHEMBL7270089 0.77 NQO1 (0.40) NQO1MMP2MMP3MMP9MMP14
SCHEMBL14514637 0.77 CA1 (0.58) TSHRTDP1CA12CA1CA2
SCHEMBL197283 0.77 FYN (0.45) NQO1MMP2MMP3MMP9MMP14
SCHEMBL12926336 0.77 MMP2 (0.51) NQO1MMP2MMP3MMP9MMP14
SCHEMBL2131789 0.75 ACHE (0.52) NQO1MAPT
SCHEMBL7375092 0.74 LTA4H (0.52) NQO1CA12CA1CA2CA7
SCHEMBL2480783 0.74 CA1 (0.61) TDP1CA12CA1CA2CA7
SCHEMBL2422330 0.74 LTA4H (0.37) NQO1TSHRCA12CA1CA2

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
US-5541169-A FUNGICIDES KOWA COMPANY, LTD. (JP) 1996-07-30 — — US disclosed
EP-0632021-A1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1995-01-04 — — EP disclosed
Send feedback