SCHEMBL4595426

SCHEMBL4595426

CC(=O)CC(=O)OCCCCCCOC(=O)CC(C)=O.CC(=O)CC(=O)OCCCCOC(=O)CC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.52
GAA P10253 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
NAAA Q02083 1/20 0.52
FAAH O00519 2/20 0.52
HTR2C P28335 1/20 0.46
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX1 P07099 1/20 0.43
ACHE P22303 6/20 0.42
TSHR P16473 2/20 0.42
DGKA P23743 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CES2 O00748 1/20 0.40

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
SCHEMBL27534642 1.00 MGAM (0.52) MGAMGAASIMGAM2NAAA
SCHEMBL27474440 1.00 MGAM (0.52) MGAMGAASIMGAM2NAAA
SCHEMBL27531643 1.00 MGAM (0.52) MGAMGAASIMGAM2NAAA
SCHEMBL28173874 1.00 MGAM (0.52) MGAMGAASIMGAM2NAAA
SCHEMBL650012 1.00 MGAM (0.52) MGAMGAASIMGAM2NAAA
SCHEMBL6146968 1.00 MGAM (0.52) MGAMGAASIMGAM2NAAA
SCHEMBL23041373 1.00 MGAM (0.52) MGAMGAASIMGAM2NAAA
SCHEMBL649327 0.97 MGAM (0.55) MGAMGAASIMGAM2NAAA
SCHEMBL10902225 0.93 ALDH1A1 (0.52) MGAMGAASIMGAM2NAAA
SCHEMBL16411225 0.92 MGAM (0.55) MGAMGAASIMGAM2NAAA

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
EP-1453892-B1 SELF-PHOTOINITIATING MULTIFUNCTIONAL ACRYLATES ASHLAND LICENSING & INTELLECTU (US) 2008-01-16 EP claimed