SCHEMBL11280229

SCHEMBL11280229

CCCCCCC(Br)/C=C/C(C)Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
OPRM1 P35372 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
LMNA P02545 1/20 0.37
FAAH O00519 1/20 0.36
DNM1 Q05193 2/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
ACE2 Q9BYF1 1/20 0.34
TRPA1 O75762 1/20 0.34
DDAH1 O94760 1/20 0.34

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
SCHEMBL11288063 1.00 LCK (0.41) LCKPPARDZDHHC20ZDHHC2ADH1B
SCHEMBL11280230 1.00 LCK (0.41) LCKPPARDZDHHC20ZDHHC2ADH1B
SCHEMBL11288062 1.00 LCK (0.41) LCKPPARDZDHHC20ZDHHC2ADH1B
SCHEMBL11286499 0.98 OPRM1 (0.41) LCKPPARDZDHHC20ZDHHC2ADH1B
SCHEMBL11286498 0.98 OPRM1 (0.41) LCKPPARDZDHHC20ZDHHC2ADH1B
SCHEMBL11278487 0.91 DNM1 (0.33) LCKPPARDZDHHC20ZDHHC2OPRM1
SCHEMBL11278482 0.91 DNM1 (0.33) LCKPPARDZDHHC20ZDHHC2OPRM1
SCHEMBL11277744 0.84 LCK (0.40) LCKPPARDZDHHC20ZDHHC2ADH1B
SCHEMBL11277737 0.84 LCK (0.40) LCKPPARDZDHHC20ZDHHC2ADH1B
SCHEMBL11281635 0.81 TSHR (0.31) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000555-B1 PROCESS FOR THE PREPARATION OF OXIRANES SUBSTITUTED BY HALOGEN ALKYL BAYER AG (DE) 1982-02-10 EP disclosed
EP-0000554-B1 PROCESS FOR THE PREPARATION OF OXIRANES SUBSTITUTED BY HALOGEN ALKYL BAYER AG (DE) 1982-02-10 EP disclosed
EP-0000555-A1 Process for the preparation of oxiranes substituted by halogen alkyl BAYER AG (DE) 1979-02-07 EP disclosed
EP-0000554-A1 Process for the preparation of oxiranes substituted by halogen alkyl BAYER AG (DE) 1979-02-07 EP disclosed