SCHEMBL28675562

SCHEMBL28675562

CCc1ccc(Cl)cc1Oc1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.68
SLC6A4 P31645 17/20 0.68
KCNH2 Q12809 15/20 0.68
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL12929642 0.81 SLC6A4 (0.68) HTR2ASLC6A4KCNH2MAPTHPGD
SCHEMBL8151401 0.79 TRPV4 (0.52) HTR2ASLC6A4KCNH2MAPTMEN1
SCHEMBL28659130 0.78 HTR2A (0.50) HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL23251387 0.77 TSHR (0.47) HTR2ASLC6A4KCNH2MAPTMEN1
SCHEMBL15186258 0.76 HTR2A (0.47) HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL4284080 0.76 SLC6A4 (0.48) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL12929644 0.75 CYP1A2 (0.57) HTR2ASLC6A4KCNH2MAPTCYP1A2
SCHEMBL20837458 0.75 HTR2A (0.47) HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL28672489 0.75 CCNC (0.50) HTR2ASLC6A4KCNH2MAPTKDM4E
SCHEMBL10782693 0.75 CYP1A2 (0.53) HTR2ASLC6A4KCNH2MAPTKDM4E

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