SCHEMBL522738

SCHEMBL522738

C=C(C)C(=O)NCNC(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
TGFBR1 P36897 1/20 0.38
TSHR P16473 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL13451167 0.82 RXFP1 (0.36) RXFP1TGFBR1TSHR
SCHEMBL59411 0.81 TGFBR1 (0.41) RXFP1TGFBR1TSHRALDH1A1
SCHEMBL7052805 0.81 RXFP1 (0.38) RXFP1TGFBR1TSHRALDH1A1
SCHEMBL24513171 0.79 TGFBR1 (0.36) RXFP1TGFBR1
SCHEMBL180220 0.78 ALDH1A1 (0.39) RXFP1TGFBR1TSHRALDH1A1
SCHEMBL23221379 0.77
SCHEMBL3279779 0.77
Hydrochloric Acid SCHEMBL10385532 0.76 ALDH1A1 (0.38) RXFP1TGFBR1ALDH1A1
SCHEMBL11866190 0.75 TGFBR1 (0.38) RXFP1TGFBR1TSHRALDH1A1
SCHEMBL366427 0.73 CYP2D6 (0.52) RXFP1TGFBR1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186441-B2 Surface treating agent, filtering material for filter, and blood treatment filter TERUMO KABUSHIKI KAISHA (JP) 2015-11-17 US disclosed
EP-2415490-A1 SURFACE-TREATING AGENT, FILTERING MATERIAL FOR FILTER, AND BLOOD TREATMENT FILTER Terumo Kabushiki Kaisha (JP) 2012-02-08 EP disclosed
US-20120024779-A1 SURFACE TREATING AGENT, FILTERING MATERIAL FOR FILTER, AND BLOOD TREATMENT FILTER TERUMO KABUSHIKI KAISHA (JP) 2012-02-02 US disclosed