SCHEMBL4618149

SCHEMBL4618149

CC(C)(N)C(=O)O.CCOC(=O)C(C)(C)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
ALDH1A1 P00352 3/20 0.40
PKM P14618 3/20 0.39
MMP8 P22894 2/20 0.39
PIN1 Q13526 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.37
SOAT1 P35610 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL1134032 0.93
Hydrochloric Acid SCHEMBL1278919 0.91 ALOX15 (0.46) GAAALOX15MGAMSIMGAM2
Hydrochloric Acid SCHEMBL4880200 0.88 MMP8 (0.44) GAAALOX15MGAMSIMGAM2
SCHEMBL4270735 0.81 ALOX15 (0.38) ALOX15CYP4F2CYP4A11ALDH1A1PKM
Hydrochloric Acid SCHEMBL27418611 0.80 ALOX15 (0.41) GAAALOX15MGAMSIMGAM2
SCHEMBL27516860 0.80 GAA (0.41) GAAALOX15MGAMSIMGAM2
Hydrochloric Acid SCHEMBL27723750 0.80 ALOX15 (0.41) GAAALOX15MGAMSIMGAM2
SCHEMBL8632493 0.78
SCHEMBL22747722 0.78 ALOX15 (0.48) GAAALOX15MGAMSIMGAM2
Hydrochloric Acid SCHEMBL10531755 0.76 ALOX15 (0.46) GAAALOX15MGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 WO disclosed