SCHEMBL9515219

SCHEMBL9515219

C=C(C)C(=O)NC(OCC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.50
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL10876493 0.84 TGFBR1 (0.33) TGFBR1
SCHEMBL10690868 0.82 TGFBR1 (0.53) TGFBR1TSHRTHRBALDH1A1KDM4E
SCHEMBL9283695 0.81 TGFBR1 (0.46) TGFBR1
SCHEMBL9365665 0.80 KDM4E (0.42) THRBALDH1A1MGAMGAASI
SCHEMBL7695367 0.79 TGFBR1 (0.46) TGFBR1TSHRTHRBALDH1A1MGAM
SCHEMBL36513 0.79 TGFBR1 (0.50) TGFBR1ALDH1A1KDM4E
SCHEMBL641337 0.77 TGFBR1 (0.44) TGFBR1TSHRTHRBALDH1A1MGAM
SCHEMBL9577882 0.77 TGFBR1 (0.44) TGFBR1TSHRTHRBALDH1A1MGAM
SCHEMBL10766136 0.77 TGFBR1 (0.44) TGFBR1TSHRTHRBALDH1A1MGAM
SCHEMBL7961747 0.76 TGFBR1 (0.43) TGFBR1TSHRTHRBALDH1A1MGAM

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-0396445-B1 CURABLE FLUORINATED COPOLYMERS, THEIR METHOD OF PREPARATION AND THEIR USE IN LACQUERS AND PAINTS ELF ATOCHEM S.A. (FR) 1993-06-16 EP disclosed
EP-0396445-A1 Curable fluorinated copolymers, their method of preparation and their use in lacquers and paints ELF ATOCHEM S.A. (FR) 1990-11-07 EP disclosed