SCHEMBL28659130

SCHEMBL28659130

CCc1ccc(Oc2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.50
SLC6A4 P31645 10/20 0.50
KCNH2 Q12809 10/20 0.50
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
ALDH1A1 P00352 1/20 0.42
SOS1 Q07889 1/20 0.41
AR P10275 1/20 0.41
FFAR1 O14842 1/20 0.40
NR4A2 P43354 1/20 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
SCHEMBL9918771 0.87 HTR2A (0.45) HTR2ASLC6A4KCNH2ALDH1A1AR
SCHEMBL16316306 0.87 LTA4H (0.48) HTR2ASLC6A4KCNH2MAOAMAOB
SCHEMBL15186258 0.84 HTR2A (0.47) HTR2ASLC6A4KCNH2MAOAMAOB
SCHEMBL20837458 0.82 HTR2A (0.47) HTR2ASLC6A4KCNH2MAOAMAOB
SCHEMBL5747779 0.81 MAOA (0.40) HTR2ASLC6A4KCNH2MAOAMAOB
SCHEMBL27585018 0.81 NR4A2 (0.43) HTR2ASLC6A4KCNH2MAOAMAOB
SCHEMBL15809203 0.80 CHRM1 (0.48) FFAR1NR4A2
SCHEMBL8340513 0.79 SLC6A4 (0.47) HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL28675562 0.78 HTR2A (0.68) HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL155790 0.78 IDO1 (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717035-B Recycling method of difenoconazole waste intermediate 江苏禾本生化有限公司 2024-03-26 CN claimed
CN-113717035-A Recycling method of difenoconazole waste intermediate 江苏禾本生化有限公司 2021-11-30 CN claimed
CN-113717035-B Recycling method of difenoconazole waste intermediate 江苏禾本生化有限公司 2024-03-26 CN disclosed
CN-113717035-B Recycling method of difenoconazole waste intermediate 江苏禾本生化有限公司 2024-03-26 CN disclosed
CN-116903453-A Recycling method of 2-chloro-4- (4-chlorophenoxy) acetophenone raffinate 浙江宇龙生物科技股份有限公司 2023-10-20 CN disclosed
CN-113717035-A Recycling method of difenoconazole waste intermediate 江苏禾本生化有限公司 2021-11-30 CN disclosed
CN-113717035-A Recycling method of difenoconazole waste intermediate 江苏禾本生化有限公司 2021-11-30 CN disclosed