Sugi Predict

Sugi Predict / Compounds / SCHEMBL18124154

SCHEMBL18124154

SCHEMBL18124154

C=CC(=O)NC(CC)OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.50
▸ ACACB O00763 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ZDHHC20 Q5W0Z9 1/20 0.34
▸ ZDHHC2 Q9UIJ5 1/20 0.34
▸ TGM2 P21980 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL10487230 0.87 TSHR (0.48) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL5207256 0.81 TSHR (0.48) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL6580192 0.79 TSHR (0.47) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL9139050 0.79 TSHR (0.47) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL10946187 0.78 TSHR (0.60) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL9137838 0.77 TSHR (0.46) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL28257876 0.76 TSHR (0.44) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL28531165 0.76 TSHR (0.47) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL18124153 0.74 TGFBR1 (0.42) TSHRALDH1A1
SCHEMBL1315706 0.74 — —

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-2267048-B1 FLUOROPOLYMER AND WATER-REPELLENT AND OIL-REPELLENT AGENT DAIKIN IND LTD (JP) 2016-10-12 — — EP claimed