SCHEMBL31319925

SCHEMBL31319925

O=C1C(Cc2ccccc2)=C(C2CCCCCCC2)C(=O)N1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPK1 P28482 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MT-CO2 P00403 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ F2 P00734 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ CTSG P08311 1/20 0.41
▸ CMA1 P23946 1/20 0.41
▸ CTRC Q99895 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ OPRM1 P35372 1/20 0.40

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
SCHEMBL31329613 0.74 ALDH1A1 (0.56) ALDH1A1MAPK1SMN1; SMN2HTTLMNA
SCHEMBL304454 0.72 ALDH1A1 (0.38) ALDH1A1MAPK1HTTLMNAF2
SCHEMBL3716740 0.71 ALDH1A1 (0.93) ALDH1A1MAPK1SMN1; SMN2LMNAMT-CO2
SCHEMBL8383160 0.71 ALDH1A1 (1.00) ALDH1A1MAPK1SMN1; SMN2HTTLMNA
SCHEMBL8383162 0.71 ALDH1A1 (1.00) ALDH1A1MAPK1SMN1; SMN2HTTLMNA
SCHEMBL7829113 0.71 ALDH1A1 (0.93) ALDH1A1MAPK1SMN1; SMN2LMNAMT-CO2
SCHEMBL6282881 0.70 CASP3 (0.51) ALDH1A1MAPK1SMN1; SMN2HTTCASP3
SCHEMBL7830266 0.69 ALDH1A1 (0.61) ALDH1A1MAPK1SMN1; SMN2LMNAMT-CO2
SCHEMBL14620054 0.68 ALDH1A1 (0.51) ALDH1A1MAPK1SMN1; SMN2HTTLMNA
SCHEMBL7830218 0.67 ALDH1A1 (0.58) ALDH1A1MAPK1SMN1; SMN2LMNAMT-CO2

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-119220655-A Method for detecting nucleic acid chemical modification site and interaction site based on nucleic acid grafting and nucleic acid reverse transcription template conversion technology 浙江大学 2024-12-31 — — CN claimed
CN-119220655-A Method for detecting nucleic acid chemical modification site and interaction site based on nucleic acid grafting and nucleic acid reverse transcription template conversion technology 浙江大学 2024-12-31 — — CN disclosed
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