SCHEMBL9550332

SCHEMBL9550332

COC(=O)C1CCC(O)CC1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM3 P20309 1/20 0.44
CYP3A4 P08684 5/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.40
SLC6A4 P31645 1/20 0.38

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
SCHEMBL16617585 0.89 CHRM2 (0.41) CHRM2CHRM4CHRM3CYP3A4MAPT
SCHEMBL24174898 0.87 CHRM2 (0.44) CHRM2CHRM4CHRM3CYP3A4SLC6A4
SCHEMBL17762362 0.87 CHRM2 (0.44) CHRM2CHRM4CHRM3CYP3A4SLC6A4
SCHEMBL3309573 0.87 CHRM2 (0.44) CHRM2CHRM4CHRM3CYP3A4SLC6A4
SCHEMBL2839537 0.87 CHRM2 (0.44) CHRM2CHRM4CHRM3CYP3A4SLC6A4
SCHEMBL8226507 0.87 CHRM2 (0.52) CHRM2CHRM4CHRM3CYP3A4
SCHEMBL8355491 0.87 CHRM2 (0.52) CHRM2CHRM4CHRM3CYP3A4
SCHEMBL22819216 0.87 CHRM2 (0.43) CHRM2CHRM4CHRM3CYP3A4MAPT
SCHEMBL2965074 0.87 CHRM2 (0.52) CHRM2CHRM4CHRM3CYP3A4
SCHEMBL13078245 0.87 CHRM2 (0.43) CHRM2CHRM4CHRM3CYP3A4MAPT

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
WO-2013006452-A2 AROMATIC POLYAMIDE FILMS FOR SOLVENT RESISTANT FLEXIBLE SUBSTRATES AKRON POLYMER SYSTEMS, INC. (US) 2013-01-10 WO disclosed
US-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed