SCHEMBL9639840

SCHEMBL9639840

C=C(C)C(=O)N(Cl)CCN(C)C

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
CHRNA4 P43681 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
Trimethylammonium SCHEMBL15085605 0.81 CA12 (0.35) CA12CA2CA9
Trimethylammonium SCHEMBL15085704 0.80 TDP1 (0.31)
SCHEMBL14855673 0.79
SCHEMBL8973647 0.79 CA12 (0.35) CA12CA2CA3CA4CA6
SCHEMBL9639792 0.78 TDP1 (0.35)
SCHEMBL7729369 0.77 CA12 (0.33) CA12CA2CA3CA4CA6
SCHEMBL2876932 0.77 HSD17B10 (0.35)
SCHEMBL8909687 0.72
SCHEMBL27777442 0.72 ACHE (0.41) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL31384419 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227358-B1 HOUSING PACK FOR PHOTOGRAPHIC PROCESSING SOLUTION KONICA CORPORATION (JP) 1992-08-12 EP disclosed
US-4791013-A STORAGE AND WASTE COMPARTMENTS; OXYGEN BARRIER MEMBRANE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1988-12-13 US disclosed
EP-0227358-A2 Housing pack for photographic processing solution KONICA CORPORATION (JP) 1987-07-01 EP disclosed