SCHEMBL28993690

SCHEMBL28993690

CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1.Oc1ccco1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 4/20 0.35
▸ KCNH2 Q12809 3/20 0.35
▸ CYP3A4 P08684 5/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ CYP3A5 P20815 1/20 0.34
▸ ABL1 P00519 8/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL69378 0.87 CYP3A4 (0.42) CCR6KCNH2CYP3A4CYP17A1CYP3A5
SCHEMBL7189416 0.87 CYP3A4 (0.42) CCR6KCNH2CYP3A4CYP17A1CYP3A5
SCHEMBL28605047 0.80 ABL1 (0.34) CCR6KCNH2CYP3A4CYP17A1ABL1
SCHEMBL10895463 0.77 CYP3A4 (0.40) CYP3A4CYP17A1CYP3A5CYP19A1
SCHEMBL10900702 0.77 TRPV1 (0.41) CYP3A4CYP17A1CYP3A5ABL1CYP19A1
SCHEMBL11431939 0.76 CYP3A4 (0.57) CCR6KCNH2CYP3A4CYP17A1CYP3A5
SCHEMBL17157354 0.71 CYP3A4 (0.43) KCNH2CYP3A4CYP17A1ABL1
SCHEMBL17172165 0.71 ABL1 (0.36) CCR6KCNH2CYP3A4CYP17A1ABL1
SCHEMBL15686090 0.71 CCR6 (0.38) CCR6KCNH2CYP3A4CYP3A5ABL1
SCHEMBL11433073 0.70 CCR6 (0.43) CCR6KCNH2ABL1CYP19A1

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-113558056-B Multi-spike system for enhancing monocot yield 孟山都技术公司 2023-05-05 — — CN disclosed
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