SCHEMBL9174242

SCHEMBL9174242

CCCC(O)CC(=O)OCC.[AlH3]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 6/20 0.41
TRPA1 O75762 1/20 0.41
ALOX15 P16050 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR84 Q9NQS5 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CHRM1 P11229 1/20 0.38
ADORA1 P30542 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5477958 0.98 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5483236 0.98 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL873010 0.98 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL30503881 0.90 MGAM (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21551852 0.89 GPR84 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21551881 0.89 GPR84 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21551850 0.89 GPR84 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL22462113 0.86 GPR84 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3676004 0.86 GPR84 (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3676008 0.86 GPR84 (0.50) 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-5439985-A A polylactone block copolymer; medical products, disposable products UNIVERSITY OF MASSACHUSETTS LOWELL (US) 1995-08-08 US claimed