SCHEMBL522058

SCHEMBL522058

C=C(C(=O)O)C(CC(C)C)NCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP3 P08254 6/20 0.41
MAPT P10636 1/20 0.41
FOLH1 Q04609 4/20 0.39
MMP9 P14780 3/20 0.35
PLA2G2A P14555 2/20 0.35
PLA2G5 P39877 2/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
FPR2 P25090 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33

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
SCHEMBL6364480 0.82 TGFBR1 (0.31)
Ammonia Solution, Strong SCHEMBL2495442 0.80
SCHEMBL3451868 0.79 ALDH1A1 (0.59) ALDH1A1MEN1LMNAKMT2AMMP3
SCHEMBL7130634 0.79 ALDH1A1 (0.59) ALDH1A1MEN1LMNAKMT2AMMP3
SCHEMBL839404 0.79 ALDH1A1 (0.59) ALDH1A1MEN1LMNAKMT2AMMP3
Hydrochloric Acid SCHEMBL23833944 0.78 ALDH1A1 (0.57) ALDH1A1MEN1LMNAKMT2AMMP3
Hydrochloric Acid SCHEMBL23833941 0.78 ALDH1A1 (0.57) ALDH1A1MEN1LMNAKMT2AMMP3
SCHEMBL23084216 0.75 ALDH1A1 (0.47) ALDH1A1MEN1LMNAKMT2AMMP3
SCHEMBL5220921 0.75 CYP2D6 (0.30)
SCHEMBL15834154 0.74 MMP3 (0.44) ALDH1A1MEN1LMNAKMT2AMMP3

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