SCHEMBL10690868

SCHEMBL10690868

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.53
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.34
RXFP1 Q9HBX9 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
PTGS2 P35354 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL36513 0.87 TGFBR1 (0.50) TGFBR1ALDH1A1KDM4ERXFP1
SCHEMBL9515219 0.82 TGFBR1 (0.50) TGFBR1ALDH1A1KDM4ETSHRTHRB
SCHEMBL9283695 0.78 TGFBR1 (0.46) TGFBR1
SCHEMBL18139413 0.76 TGFBR1 (0.57) TGFBR1ALDH1A1KDM4ERXFP1TDP1
SCHEMBL5571413 0.76 TGFBR1 (0.57) TGFBR1ALDH1A1KDM4ERXFP1TDP1
SCHEMBL9504333 0.76 TGFBR1 (0.47) TGFBR1ALDH1A1KDM4ERXFP1TDP1
SCHEMBL8518825 0.74 TGFBR1 (0.55) TGFBR1ALDH1A1KDM4ERXFP1SMN1; SMN2
SCHEMBL149929 0.74 TGFBR1 (0.55) TGFBR1ALDH1A1KDM4ERXFP1SMN1; SMN2
SCHEMBL472271 0.74 TGFBR1 (0.55) TGFBR1ALDH1A1KDM4ERXFP1TDP1
SCHEMBL865671 0.74 TGFBR1 (0.55) TGFBR1ALDH1A1KDM4ERXFP1SMN1; SMN2

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-4791166-A FLUORINATED ACRYLIC ESTER TERPOLYMERS IN HYDROCARBON SOLUTION FOR WATER AND OIL PROOFING TEXTILES HOECHST CELANESE CORPORATION (US) 1988-12-13 US claimed