SCHEMBL28089618

SCHEMBL28089618

COC(=O)c1ccccc1C=Cc1cccc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.61
MAOB P27338 2/20 0.56
MAOA P21397 1/20 0.56
CYP1A1 P04798 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP1B1 Q16678 1/20 0.54
BCHE P06276 1/20 0.53
NR1H3 Q13133 1/20 0.53
RELA Q04206 1/20 0.53
NR1H4 Q96RI1 2/20 0.52
FOS P01100 1/20 0.50
JUN P05412 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
BACE1 P56817 1/20 0.49

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
SCHEMBL9798136 0.87 NFE2L2 (0.62) NFE2L2MAOBMAOACYP1A1CYP1A2
SCHEMBL30749687 0.87 NFE2L2 (0.62) NFE2L2MAOBMAOACYP1A1CYP1A2
SCHEMBL10496422 0.87 NFE2L2 (0.62) NFE2L2MAOBMAOACYP1A1CYP1A2
SCHEMBL17978233 0.85 CYP1A1 (0.53) NFE2L2MAOBMAOACYP1A1CYP1A2
SCHEMBL19810852 0.85 CYP1A1 (0.53) NFE2L2MAOBMAOACYP1A1CYP1A2
SCHEMBL5332771 0.84 BACE1 (0.59) NFE2L2MAOBMAOARELABACE1
SCHEMBL5343618 0.84 BACE1 (0.59) NFE2L2MAOBMAOARELABACE1
SCHEMBL17386262 0.84 ABL1 (0.52) NFE2L2CYP1A1CYP1A2CYP1B1NR1H3
SCHEMBL17386261 0.84 ABL1 (0.52) NFE2L2CYP1A1CYP1A2CYP1B1NR1H3
SCHEMBL30423635 0.84 BACE1 (0.61) NFE2L2CYP1A2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104761470-B The preparation method of (R, S)-2-[[5-(9-fluorenylmethyloxycarbonyl amino) dibenzo [a, d] cycloheptane-2-base] oxygen] acetic acid 吉尔生化(上海)有限公司 2016-08-24 CN claimed
CN-117510323-B Preparation method of Ramage Linker intermediate 成都泰莱康科技有限公司 2024-04-05 CN disclosed
CN-117510323-A Preparation method of Ramage Linker intermediate 成都泰莱康科技有限公司 2024-02-06 CN disclosed