SCHEMBL29720126

SCHEMBL29720126

C=C(C)C=C(C=CC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RECQL P46063 1/20 0.35
▸ EGFR P00533 2/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ ATM Q13315 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ ELANE P08246 1/20 0.31

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
SCHEMBL18460837 0.79 ATM (0.38) MEN1KMT2ARECQLCES2CES1
SCHEMBL28085607 0.79 ATM (0.38) MEN1KMT2ARECQLCES2CES1
SCHEMBL13349596 0.78 MAPT (0.42) MEN1KMT2ARECQLCES2CES1
SCHEMBL19057990 0.78 NFE2L2 (0.45) MEN1KMT2AEGFRCES2CES1
SCHEMBL24947784 0.78 CES2 (0.32) MEN1KMT2ARECQLCES2CES1
SCHEMBL23396985 0.78 LOXL2 (0.38) SMN1; SMN2
SCHEMBL19774621 0.77 ALDH1A1 (0.41) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL19112505 0.74 RECQL (0.44) MEN1KMT2ARECQLMAPTLMNA
SCHEMBL14234423 0.74 AKT1 (0.38) RECQLCES2CES1MAPTATM
SCHEMBL16311301 0.74 RECQL (0.38) MEN1KMT2ARECQLCES2CES1

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-114634662-A Pipeline sound insulation material prepared from straw and preparation method thereof 湖南登科材料科技有限公司 2022-06-17 — — CN claimed
CN-114634662-A Pipeline sound insulation material prepared from straw and preparation method thereof 湖南登科材料科技有限公司 2022-06-17 — — CN disclosed
CN-114634662-A Pipeline sound insulation material prepared from straw and preparation method thereof 湖南登科材料科技有限公司 2022-06-17 — — CN disclosed
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