SCHEMBL8751663

SCHEMBL8751663

C=CC(CCCC)N(C(=O)O)C(C=C)CCCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.38
GPR84 Q9NQS5 7/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
CA1 P00915 1/20 0.34
FFAR1 O14842 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
METAP1 P53582 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33

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
SCHEMBL5178163 0.85 TSHR (0.38) CA2MAPK1TSHRACHEBACE1
SCHEMBL2364670 0.74 TSHR (0.36) TSHR
SCHEMBL6532587 0.74 MAPT (0.40) GPR84CA1FFAR1SLC1A2SLC1A1
SCHEMBL8733682 0.72 TSHR (0.39) TSHR
SCHEMBL5178628 0.72 CHRM1 (0.33) TSHR
SCHEMBL8584572 0.71 CA2 (0.45) CA2MAPK1TSHRGPR84ACHE
SCHEMBL29956768 0.69 CA2 (0.48) CA2MAPK1TSHRGPR84ACHE
SCHEMBL29957306 0.69 CA2 (0.48) CA2MAPK1TSHRGPR84ACHE
SCHEMBL323960 0.69 CA2 (0.48) CA2MAPK1TSHRGPR84ACHE
Ethylene SCHEMBL12983468 0.68 CA2 (0.47) CA2MAPK1TSHRGPR84ACHE

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-0628542-B1 Process for the preparation of organic carbamates BAYER AG (DE) 1997-04-09 EP disclosed
EP-0628542-A1 Process for the preparation of organic carbonates BAYER AG (DE) 1994-12-14 EP disclosed