SCHEMBL20052093

SCHEMBL20052093

CCOCc1ccc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.32
▸ NAMPT P43490 2/20 0.31
▸ GBA1 P04062 1/20 0.31
▸ UGCG Q16739 1/20 0.31
▸ GBA2 Q9HCG7 1/20 0.31
▸ BRS3 P32247 2/20 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
SCHEMBL17172245 0.88 SYK (0.33) SYK
SCHEMBL20609628 0.84 ACACB (0.38) —
SCHEMBL17185801 0.81 WNT3A (0.32) —
SCHEMBL17172248 0.81 CYP19A1 (0.37) —
SCHEMBL17172276 0.80 SLC22A12 (0.37) SYK
SCHEMBL17196173 0.80 CYP19A1 (0.47) —
SCHEMBL17172234 0.80 KIF11 (0.43) —
SCHEMBL17172249 0.80 ATM (0.41) —
SCHEMBL17172208 0.80 CYP19A1 (0.47) —
SCHEMBL17172233 0.79 CYP19A1 (0.42) —

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-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
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