SCHEMBL28607141

SCHEMBL28607141

CCCCCc1ccc2c(c1O)C(=O)c1ccccc1C2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.55
CTSG P08311 5/20 0.55
MAOA P21397 1/20 0.42
TYR P14679 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL28296942 0.86 MAOA (0.50) ELANECTSGMAOAALDH1A1ALOX5
SCHEMBL11209226 0.84 ELANE (0.66) ELANECTSGTYRALDH1A1ALOX5
SCHEMBL11258584 0.81 ELANE (0.64) ELANECTSGTYRALDH1A1ALOX5
SCHEMBL9395359 0.79 ELANE (0.46) ELANECTSGMAOATYRNR1H2
SCHEMBL11317099 0.78 ELANE (0.42) ELANECTSGMAOAALDH1A1ALOX5
SCHEMBL6448382 0.76 ELANE (0.48) ELANEMAOAALDH1A1ALOX5KDM4E
SCHEMBL2416249 0.75 LIPG (0.44) ELANECTSGNR1H2NR1H3ALDH1A1
SCHEMBL6418805 0.74 MAOA (0.57) MAOATYRALDH1A1ALOX5KDM4E
SCHEMBL29508750 0.74 LIPG (0.46) ELANECTSGNR1H2NR1H3ALDH1A1
SCHEMBL28975089 0.74 LIPG (0.46) ELANECTSGNR1H2NR1H3ALDH1A1

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-113039154-B Working solution treatment method 三菱瓦斯化学株式会社 2023-11-03 CN disclosed
CN-113039154-A Method for treating working solution 三菱瓦斯化学株式会社 2021-06-25 CN disclosed