SCHEMBL28836888

SCHEMBL28836888

C=CC=CC(=O)c1ccccc1C(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ MAOB P27338 8/20 0.40
▸ MAOA P21397 3/20 0.40
▸ MAPT P10636 5/20 0.36
▸ BCHE P06276 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GUSB P08236 1/20 0.36
▸ AKT1 P31749 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALOX12 P18054 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL29907228 0.75 KDM4E (0.48) ALDH1A1MAPTCYP2C19CYP3A4KDM4E
SCHEMBL422 0.74 ALDH1A1 (0.67) ALDH1A1ALOX15MAPTKDM4EHPGD
SCHEMBL7802783 0.74 MAPT (0.55) ALDH1A1MAOBMAOAMAPTBCHE
SCHEMBL907405 0.72 AKT1 (0.61) ALDH1A1MAOBMAPTBCHECYP2C19
SCHEMBL5119838 0.72 AKT1 (0.61) ALDH1A1MAOBMAPTBCHECYP2C19
SCHEMBL28422933 0.72 ALDH1A1 (0.64) ALDH1A1ALOX15MAPTKDM4EHPGD
Hydrochloric Acid SCHEMBL28325289 0.72 ALDH1A1 (0.64) ALDH1A1ALOX15MAPTKDM4EHPGD
SCHEMBL17715391 0.69 ALDH1A1 (0.54) ALDH1A1ALOX15MAPTCYP2C19CYP3A4
SCHEMBL35240 0.68 ALDH1A1 (0.48) ALDH1A1ALOX15MAPTBCHEGUSB
SCHEMBL31692683 0.68 ALDH1A1 (0.48) ALDH1A1ALOX15MAPTBCHEGUSB

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-114999711-A Stain-resistant cable and preparation method thereof 赵琳 2022-09-02 — — CN claimed
CN-114999711-A Stain-resistant cable and preparation method thereof 赵琳 2022-09-02 — — CN disclosed
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