SCHEMBL9785486

SCHEMBL9785486

CCOC(CC(C(=O)O)C(C)C)OCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
LMNA P02545 1/20 0.33
SLC7A5 Q01650 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
EPHX1 P07099 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL7977853 1.00 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1LMNASLC7A5
SCHEMBL9785492 1.00 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1LMNASLC7A5
SCHEMBL188112 0.80 SMN1; SMN2 (0.38) SLC1A3SLC1A2SLC1A1LMNAEPHX1
SCHEMBL7977852 0.80 SMN1; SMN2 (0.38) SLC1A3SLC1A2SLC1A1LMNAEPHX1
SCHEMBL9517409 0.78 NAALAD2 (0.42) LMNASLC7A5RNPEPEPHX1
SCHEMBL9472675 0.78 THRB (0.35) SLC1A3SLC1A2SLC1A1LMNASLC7A5
SCHEMBL9785462 0.73
SCHEMBL9785457 0.73
SCHEMBL9391689 0.73 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL11632438 0.72 RNPEP (0.52) LMNARNPEPTDP1

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-5010200-A Insecticide intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-23 US disclosed
US-4962109-A MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-09 US disclosed
EP-0295839-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-21 EP disclosed
US-4762835-A INSECTICIDES, MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-09 US disclosed
EP-0227415-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-01 EP disclosed