SCHEMBL28294218

SCHEMBL28294218

[CH2]C#N.[CH2]CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 2/20 0.42
HTR2A P28223 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL470 0.87
SCHEMBL22092377 0.85 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL27610715 0.85 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
Hydrochloric Acid SCHEMBL10398514 0.85 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
Ethylene SCHEMBL28196223 0.85 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL5537656 0.82 MAOB (0.56) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL3169161 0.79 ALDH1A1 (0.42) ALDH1A1HPGDALOX15ALOX12CASP1
Dimethylamine SCHEMBL3933478 0.78 TAAR1 (0.56) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL5546491 0.78 CALM1 (0.60) ALDH1A1HPGDALOX15ALOX12CASP1
Zinc Chloride SCHEMBL27277344 0.78 ALDH1A1 (0.46) ALDH1A1HPGDALOX15ALOX12CASP1

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-110382597-A Curable with actinic energy ray composition, the manufacturing method of cured film and hardening thing 学校法人东京理科大学 2019-10-25 CN disclosed
CN-109609070-A Display adhesive, optical component, touch panel, liquid crystal sealing agent or encapsulant and liquid crystal display 日本化药株式会社 2019-04-12 CN disclosed