SCHEMBL6247173

SCHEMBL6247173

CC1CCCCN1c1ccccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.46
GFER P55789 1/20 0.44
ACHE P22303 2/20 0.43
BCHE P06276 1/20 0.43
NR1I2 O75469 2/20 0.42
SMARCA2 P51531 2/20 0.42
SMARCA4 P51532 2/20 0.42
NR1H3 Q13133 2/20 0.42
PBRM1 Q86U86 2/20 0.42
NR1H2 P55055 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CSF1R P07333 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 2/20 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
SCHEMBL411118 0.80 GFER (0.46) ARGFERNR1I2SMARCA2SMARCA4
SCHEMBL14398088 0.78 SMN1; SMN2 (0.42) ARSMN1; SMN2KMT2AMEN1ATM
SCHEMBL2555259 0.77 AR (0.52) ARGFERKMT2AMEN1ATM
SCHEMBL3220834 0.76 ALDH1A1 (0.50) LMNASMN1; SMN2CSF1RMAPTKMT2A
SCHEMBL23043568 0.76 PBRM1 (0.54) ARGFERACHEBCHENR1I2
SCHEMBL2107135 0.76 BCHE (0.47) ARGFERACHEBCHENR1I2
SCHEMBL29512584 0.76 PBRM1 (0.54) ARGFERACHEBCHENR1I2
SCHEMBL406932 0.75 AR (0.43) ARGFERNR1I2SMARCA2SMARCA4
SCHEMBL31167266 0.74 KEAP1 (0.52) LMNASMN1; SMN2CSF1RMAPTKMT2A
SCHEMBL28452171 0.74 KEAP1 (0.52) LMNASMN1; SMN2CSF1RMAPTKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111205218-B Photo-initiated aldehyde removal method 广州中医药大学(广州中医药研究院) 2021-08-27 CN claimed
CN-111205218-A Photo-initiated aldehyde removal method 广州中医药大学(广州中医药研究院) 2020-05-29 CN claimed
CN-111205218-B Photo-initiated aldehyde removal method 广州中医药大学(广州中医药研究院) 2021-08-27 CN disclosed
CN-111205218-A Photo-initiated aldehyde removal method 广州中医药大学(广州中医药研究院) 2020-05-29 CN disclosed
WO-2005037196-A2 SUBSTITUTED 2-ARYLMETHYLENE-N-ARYL-N'-ARYL-MALONAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2005-04-28 WO disclosed