SCHEMBL28522795

SCHEMBL28522795

CCCCCCCC(C(=O)c1ccccc1)C(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.47
CTSG P08311 3/20 0.47
CTRB1 P17538 3/20 0.47
CMA1 P23946 3/20 0.47
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
NAAA Q02083 1/20 0.43
MLYCD O95822 1/20 0.42
MDM2 Q00987 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CNR2 P34972 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
SCHEMBL9636810 1.00 PRSS1 (0.47) PRSS1CTSGCTRB1CMA1MMP2
SCHEMBL30979218 0.86 CES2 (0.53) PRSS1CTSGCTRB1CMA1MMP2
SCHEMBL27836181 0.86 CES2 (0.53) PRSS1CTSGCTRB1CMA1MMP2
SCHEMBL10456426 0.86 CES2 (0.53) PRSS1CTSGCTRB1CMA1MMP2
SCHEMBL8857493 0.85 CES2 (0.51) PRSS1CTSGCTRB1CMA1MMP2
SCHEMBL10710461 0.85 CES2 (0.51) PRSS1CTSGCTRB1CMA1MMP2
SCHEMBL9356276 0.85 CES2 (0.51) PRSS1CTSGCTRB1CMA1MMP2
SCHEMBL9352414 0.85 CES2 (0.51) PRSS1CTSGCTRB1CMA1MMP2
SCHEMBL9352928 0.85 CES2 (0.51) PRSS1CTSGCTRB1CMA1MMP2
SCHEMBL9356264 0.85 CES2 (0.51) PRSS1CTSGCTRB1CMA1MMP2

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-112342406-B Method for extracting lithium from salt lake brine 浙江新化化工股份有限公司 2022-11-08 CN disclosed
CN-112342407-B Back extraction method of lithium extraction liquid 浙江新化化工股份有限公司 2022-11-08 CN disclosed
CN-112342405-A Method for extracting lithium from lithium-containing solution 浙江新化化工股份有限公司 2021-02-09 CN disclosed
CN-112342406-A Method for extracting lithium from salt lake brine 浙江新化化工股份有限公司 2021-02-09 CN disclosed
CN-112342407-A Back extraction method of lithium extraction liquid 浙江新化化工股份有限公司 2021-02-09 CN disclosed