SCHEMBL9807136

SCHEMBL9807136

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.45
ALDH1A1 P00352 2/20 0.39
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 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
SCHEMBL2680194 0.84 TGFBR1 (0.44) TGFBR1ALDH1A1RXFP1TDP1KDM4E
SCHEMBL10766136 0.79 TGFBR1 (0.44) TGFBR1ALDH1A1RXFP1TSHR
SCHEMBL9577882 0.79 TGFBR1 (0.44) TGFBR1ALDH1A1RXFP1TSHR
SCHEMBL9504333 0.78 TGFBR1 (0.47) TGFBR1ALDH1A1RXFP1TDP1KDM4E
SCHEMBL27401861 0.77
SCHEMBL1820299 0.77 TGFBR1 (0.50) TGFBR1ALDH1A1RXFP1TDP1KDM4E
SCHEMBL19583252 0.76 TGFBR1 (0.45) TGFBR1ALDH1A1RXFP1TDP1KDM4E
SCHEMBL7591979 0.76 TSHR (0.46) TGFBR1ALDH1A1RXFP1TSHR
SCHEMBL50197 0.75
SCHEMBL10690868 0.74 TGFBR1 (0.53) TGFBR1ALDH1A1RXFP1TDP1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288763-B1 AQUEOUS SECONDARY DISPERSIONS BASF Aktiengesellschaft (DE) 1991-05-15 EP claimed
US-4845147-A AUTOMOTIVE FINISHES BASF AKTIENGESELLSCHAFT (DE) 1989-07-04 US claimed
US-3991009-A Moulding compositions of graft polycarbonate and graft polymer rubbers BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US claimed
US-4853433-A Epoxy resin materials having an improved shelf life BASF AKTIENGESELLSCHAFT (DE) 1989-08-01 US disclosed
US-4845147-A AUTOMOTIVE FINISHES BASF AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
US-3991009-A Moulding compositions of graft polycarbonate and graft polymer rubbers BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US disclosed