SCHEMBL30487478

SCHEMBL30487478

Cc1cc(Cl)ccc1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
HSD11B1 P28845 1/20 0.46
AHR P35869 2/20 0.45
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
ESR2 Q92731 2/20 0.42
PTGS2 P35354 1/20 0.41
HSD17B1 P14061 1/20 0.40
ABL1 P00519 1/20 0.40
ESR1 P03372 1/20 0.39

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
SCHEMBL680179 1.00 NOTUM (0.47) NOTUMSLC1A3SLC1A2SLC1A1HSD11B1
SCHEMBL12497363 0.98 NOTUM (0.48) NOTUMSLC1A3SLC1A2SLC1A1HSD11B1
SCHEMBL13494486 0.91 NOTUM (0.44) NOTUMSLC1A3SLC1A2SLC1A1HSD11B1
SCHEMBL27395925 0.89 NOTUM (0.43) NOTUMSLC1A3SLC1A2SLC1A1HSD11B1
SCHEMBL1919860 0.87 CYP3A4 (0.47) NOTUMSLC1A3SLC1A2SLC1A1HSD11B1
SCHEMBL28211735 0.87 ESR2 (0.55) NOTUMSLC1A3SLC1A2SLC1A1CYP3A4
SCHEMBL14850871 0.86 KMT2A (0.46) SLC1A3SLC1A2SLC1A1HSD11B1AHR
SCHEMBL5517844 0.86 ESR2 (0.59) NOTUMSLC1A3SLC1A2SLC1A1HSD11B1
SCHEMBL28261422 0.86 NOTUM (0.41) NOTUMSLC1A3SLC1A2SLC1A1HSD11B1
SCHEMBL14670096 0.86 LMNA (0.48) NOTUMSLC1A3SLC1A2SLC1A1HSD11B1

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-115572371-B Preparation method of ionic porous polymer material and application of essential oil in adsorption and diterpene removal 杭州师范大学 2024-06-25 CN disclosed
CN-117843439-A Recycling preparation method of biphenyl dichlorobenzene 四川东材科技集团股份有限公司 2024-04-09 CN disclosed
CN-117181990-B High-temperature-resistant precoated sand and preparation method thereof 胜利油田金岛实业有限责任公司 2024-03-19 CN disclosed
CN-117181990-A High-temperature-resistant precoated sand and preparation method thereof 胜利油田金岛实业有限责任公司 2023-12-08 CN disclosed
CN-116535731-A Adsorption resin, preparation method thereof and application thereof in cephalosporin C extraction 西安蓝深新材料科技股份有限公司 2023-08-04 CN disclosed