SCHEMBL29772196

SCHEMBL29772196

CCCCCC(Br)C(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 2/20 0.62
LCK P06239 1/20 0.53
PPARD Q03181 1/20 0.53
ZDHHC20 Q5W0Z9 1/20 0.53
ZDHHC2 Q9UIJ5 1/20 0.53
FAAH O00519 1/20 0.42
CA1 P00915 3/20 0.39
CA2 P00918 2/20 0.39
SMPD1 P17405 3/20 0.38
CTSK P43235 2/20 0.38
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
CTSS P25774 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL10068415 1.00 ZDHHC7 (0.62) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9697068 0.98 ZDHHC7 (0.66) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL7329329 0.94 ZDHHC7 (0.55) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL2007637 0.94 ZDHHC7 (0.55) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9691868 0.86 ZDHHC7 (0.44) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL7894283 0.85 ZDHHC7 (0.44) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL8785206 0.84 ZDHHC7 (0.39) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL6474533 0.83 ZDHHC7 (0.42) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9079671 0.82 ZDHHC7 (0.46) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL27905397 0.82 ZDHHC7 (0.46) ZDHHC7LCKPPARDZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022148459-A1 CLASS OF NOVEL SMAD3 PROTEIN DEGRADERS AND APPLICATION THEREOF 和径医药科技(上海)有限公司 2022-07-14 WO disclosed