SCHEMBL9719557

SCHEMBL9719557

CC(=O)OC1CC[CH]CCCC1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.40
CHRM1 P11229 3/20 0.40
CHRM4 P08173 2/20 0.40
CHRM3 P20309 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC18A3 Q16572 2/20 0.38
SERPINE1 P05121 2/20 0.37
METAP2 P50579 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10670131 0.83 CHRM2 (0.41) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL7803990 0.81 EPHX1 (0.38) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL3683001 0.81 CHRM2 (0.38) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL3683003 0.81 CHRM2 (0.38) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL789252 0.80 CHRM2 (0.53) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL7920287 0.80 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL7926060 0.80 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL7926056 0.80 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL20995891 0.80 CHRM2 (0.53) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL1299488 0.79 CHRM2 (0.34) CHRM2CHRM1CHRM4CHRM3KMT2A

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
US-5154753-A Cyclohexenone derivatives, their preparation and their use as herbicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1992-10-13 US disclosed
EP-0233900-A1 FLAME RETARDANT WIRE COATING COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 1987-09-02 EP disclosed
US-4690997-A POLYSILOXANE-POLYIMIDE BLOCK POLYMER GENERAL ELECTRIC COMPANY (US) 1987-09-01 US disclosed
EP-0228598-A1 Cyclohexenone derivatives, process for their preparation and their use as herbicides and growth regulating agents BASF Aktiengesellschaft (DE) 1987-07-15 EP disclosed
WO-1987000846-A1 FLAME RETARDANT WIRE COATING COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 1987-02-12 WO disclosed