SCHEMBL14567458

SCHEMBL14567458

CCOCNCC(CNCOCC)C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KISS1R Q969F8 2/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 1/20 0.31
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
RAB9A P51151 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL13897381 0.78 KISS1R (0.33) ALDH1A1KISS1RMGAMGAASI
SCHEMBL28873000 0.71
SCHEMBL20683711 0.68 ALDH1A1 (0.38) TSHRALDH1A1LMNAHSD17B10THRB
SCHEMBL702148 0.68
SCHEMBL6892249 0.67
SCHEMBL6168846 0.66
SCHEMBL14567452 0.65 ALDH1A1 (0.37) TSHRALDH1A1LMNAHSD17B10THRB
SCHEMBL7050696 0.64
SCHEMBL7050701 0.64
Ether SCHEMBL6418307 0.64 ALDH1A1 (0.44) TSHRALDH1A1LMNAHSD17B10THRB

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-7193031-B2 Polyalkylene glycol acid additives HOFFMANN-LA ROCHE INC. (US) 2007-03-20 US disclosed