SCHEMBL28670320

SCHEMBL28670320

C=CC(CCCCCC)n1ccnc1.F[B-](F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 5/20 0.40
▸ TBXAS1 P24557 2/20 0.40
▸ PIK3R1 P27986 2/20 0.32
▸ AKT1 P31749 2/20 0.32
▸ AKT2 P31751 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ AKT3 Q9Y243 2/20 0.32
▸ TBXA2R P21731 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 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
SCHEMBL28426825 1.00 CYP17A1 (0.40) CYP17A1TBXAS1PIK3R1AKT1AKT2
SCHEMBL28569993 1.00 CYP17A1 (0.40) CYP17A1TBXAS1PIK3R1AKT1AKT2
SCHEMBL29250255 1.00 CYP17A1 (0.40) CYP17A1TBXAS1PIK3R1AKT1AKT2
Hydrochloric Acid SCHEMBL28670608 0.99 CYP17A1 (0.40) CYP17A1TBXAS1PIK3R1AKT1AKT2
SCHEMBL27677519 0.94 CYP17A1 (0.45) CYP17A1TBXAS1CYP3A4CYP2D6
SCHEMBL27918142 0.94 TBXAS1 (0.44) CYP17A1TBXAS1PIK3R1AKT1AKT2
SCHEMBL27685945 0.94 TBXAS1 (0.44) CYP17A1TBXAS1PIK3R1AKT1AKT2
SCHEMBL27908258 0.94 TBXAS1 (0.44) CYP17A1TBXAS1PIK3R1AKT1AKT2
SCHEMBL15657207 0.94 TBXAS1 (0.44) CYP17A1TBXAS1PIK3R1AKT1AKT2
SCHEMBL27915211 0.94 TBXAS1 (0.44) CYP17A1TBXAS1PIK3R1AKT1AKT2

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
CN-110144730-B Preparation method of aromatic flannel home textile fabric 江苏意瑞达纺织科技有限公司 2021-11-26 — — CN claimed
CN-110144730-B Preparation method of aromatic flannel home textile fabric 江苏意瑞达纺织科技有限公司 2021-11-26 — — CN disclosed
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