SCHEMBL20118159

SCHEMBL20118159

CCOC(OCC)C(=O)NC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.33
PLK1 P53350 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX1 P07099 2/20 0.32
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
ALOX15 P16050 1/20 0.31
SOAT1 P35610 1/20 0.31
RAB9A P51151 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
SCHEMBL7432069 0.88 ADAM17 (0.33) THRBMGAMGAASIMGAM2
SCHEMBL12107298 0.80
SCHEMBL24189487 0.80
SCHEMBL5452576 0.77 CA1 (0.42) THRBMGAMGAASIMGAM2
SCHEMBL13500175 0.77 LMNA (0.40) THRBMGAMGAASIMGAM2
SCHEMBL10850731 0.77 LMNA (0.38) GAALMNAALDH1A1RAB9AMAPT
SCHEMBL13500176 0.75 MMP3 (0.33)
SCHEMBL5196342 0.72
SCHEMBL13500168 0.72 MMP8 (0.32)
SCHEMBL15189342 0.72 USP2 (0.52) ALDH1A1USP2TSHRRAB9AMAPT

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-3082735-B1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF PROCTER & GAMBLE (US) 2018-05-02 EP disclosed