SCHEMBL28441194

SCHEMBL28441194

CC/C=C\CC.O=C(O)C(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 2/20 0.50
▸ GRIK2 Q13002 2/20 0.50
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ CYP19A1 P11511 4/20 0.43
▸ PPARG P37231 3/20 0.43
▸ OXER1 Q8TDS5 3/20 0.43
▸ RXRA P19793 2/20 0.43
▸ FFAR1 O14842 2/20 0.43
▸ F7 P08709 3/20 0.40
▸ F3 P13726 3/20 0.40
▸ PPARA Q07869 3/20 0.40
▸ PTGS1 P23219 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ FPR2 P25090 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 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
SCHEMBL4891724 0.83 GRIK1 (0.55) GRIK1GRIK2ALDH1A1MAPTCYP19A1
SCHEMBL10457604 0.83 GRIK1 (0.55) GRIK1GRIK2ALDH1A1MAPTCYP19A1
SCHEMBL4891721 0.83 GRIK1 (0.55) GRIK1GRIK2ALDH1A1MAPTCYP19A1
SCHEMBL28171397 0.80 GRIK1 (0.47) GRIK1GRIK2ALDH1A1MAPTCYP19A1
SCHEMBL27670830 0.80 GRIK1 (0.47) GRIK1GRIK2ALDH1A1MAPTCYP19A1
Bicarbonate SCHEMBL702474 0.78 ALDH1A1 (0.52) GRIK1GRIK2ALDH1A1MAPTCYP19A1
Bicarbonate SCHEMBL9579037 0.78 ALDH1A1 (0.52) GRIK1GRIK2ALDH1A1MAPTCYP19A1
SCHEMBL16744146 0.77 GRIK1 (0.50) GRIK1GRIK2ALDH1A1MAPTCYP19A1
SCHEMBL9577748 0.77 GRIK1 (0.50) GRIK1GRIK2ALDH1A1MAPTCYP19A1
SCHEMBL6908844 0.77 GRIK1 (0.50) GRIK1GRIK2ALDH1A1MAPTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111387187-A Bemisia tabaci attractant composition and application thereof 中国农业科学院植物保护研究所 2020-07-10 — — CN claimed
CN-111387187-A Bemisia tabaci attractant composition and application thereof 中国农业科学院植物保护研究所 2020-07-10 — — CN disclosed
CN-111387187-A Bemisia tabaci attractant composition and application thereof 中国农业科学院植物保护研究所 2020-07-10 — — CN disclosed
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