SCHEMBL18708100

SCHEMBL18708100

C=C(CC(CC)CC)OC(=O)CC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL19294370 0.79 ALDH1A1 (0.52) ALDH1A1TDP1
SCHEMBL4947816 0.77
SCHEMBL11735671 0.71 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL967731 0.71 MGAM (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL18431499 0.70 RECQL (0.31)
SCHEMBL22186305 0.70 MEN1 (0.33) ALDH1A1
SCHEMBL449524 0.70 MGAM (0.67) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9287460 0.69 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10320749 0.69 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2210522 0.68 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611279-B2 Zinc complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-04-04 US disclosed