SCHEMBL11027982

SCHEMBL11027982

CCCCCCCCCCC(Br)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.41
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
FAAH O00519 4/20 0.36
CA2 P00918 2/20 0.35
GPR84 Q9NQS5 6/20 0.33
FFAR1 O14842 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
USP2 O75604 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32

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
SCHEMBL6859111 1.00 ZDHHC7 (0.41) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL5403877 0.96 ZDHHC7 (0.37) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL9219179 0.92 CA2 (0.39) ZDHHC7LCKPPARDZDHHC20ZDHHC2
SCHEMBL14834118 0.81 CA2 (0.36) ZDHHC7CA2GPR84LMNA
SCHEMBL8063012 0.79 FAAH (0.37) FAAHCA2LMNACNR1CNR2
SCHEMBL9055975 0.79 SMPD1 (0.37) CA2LMNA
SCHEMBL29910754 0.78 GPR84 (0.37) CA2GPR84FFAR1LMNAMAPT
SCHEMBL9117823 0.78 GPR84 (0.37) CA2GPR84FFAR1LMNAMAPT
SCHEMBL30116202 0.77 OPRM1 (0.37) FAAHCA2LMNACNR1CNR2
SCHEMBL5208766 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138504-A2 Steroid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-04-24 EP disclosed
EP-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 EP disclosed