SCHEMBL9504333

SCHEMBL9504333

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.47
ALDH1A1 P00352 3/20 0.40
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL11333254 0.83 TGFBR1 (0.45) TGFBR1ALDH1A1RXFP1TDP1KDM4E
SCHEMBL5407761 0.78 KDM4E (0.37) ALDH1A1KDM4ETSHR
SCHEMBL19583252 0.78 TGFBR1 (0.45) TGFBR1ALDH1A1RXFP1TDP1KDM4E
SCHEMBL9807136 0.78 TGFBR1 (0.45) TGFBR1ALDH1A1RXFP1TDP1KDM4E
SCHEMBL10690868 0.76 TGFBR1 (0.53) TGFBR1ALDH1A1RXFP1TDP1KDM4E
SCHEMBL640988 0.75 TGFBR1 (0.42) TGFBR1ALDH1A1RXFP1TSHR
SCHEMBL24333197 0.74 TGFBR1 (0.50) TGFBR1ALDH1A1RXFP1TDP1KDM4E
SCHEMBL14951 0.74
SCHEMBL2487819 0.74 TGFBR1 (0.50) TGFBR1ALDH1A1RXFP1TDP1KDM4E
SCHEMBL1820299 0.74 TGFBR1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376094-B1 PROCESS FOR HARDENING AN INJECTION AGENT RÖHM GMBH (DE) 1993-06-16 EP disclosed