SCHEMBL28306258

SCHEMBL28306258

FC(OCc1ccccc1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
TSHR P16473 1/20 0.41
IDO1 P14902 3/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR1 P25103 2/20 0.38
AGXT P21549 1/20 0.38
DPP4 P27487 1/20 0.37
CYP3A4 P08684 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
SCHEMBL1705503 0.79 TSHR (0.52) SLC6A2SLC6A4SLC6A3TSHRIDO1
SCHEMBL27622597 0.77 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRIDO1
SCHEMBL4693009 0.77 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRIDO1
SCHEMBL4693015 0.77 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRIDO1
SCHEMBL11410015 0.75 HPGD (0.43) SLC6A2SLC6A4SLC6A3TSHRMEN1
SCHEMBL3811153 0.74 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRIDO1
SCHEMBL17706718 0.73 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TSHRSLC1A3
SCHEMBL18759588 0.72 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3TSHRIDO1
SCHEMBL4609665 0.72 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3TSHRIDO1
SCHEMBL1539581 0.71 TSHR (0.48) SLC6A2SLC6A4SLC6A3TSHRIDO1

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-110026212-A A kind of catalyst for cracking and the method using the catalyst preparation sitafloxacin intermediate 临海市利民化工有限公司 2019-07-19 CN claimed
CN-110026212-A A kind of catalyst for cracking and the method using the catalyst preparation sitafloxacin intermediate 临海市利民化工有限公司 2019-07-19 CN disclosed
CN-110026212-A A kind of catalyst for cracking and the method using the catalyst preparation sitafloxacin intermediate 临海市利民化工有限公司 2019-07-19 CN disclosed