SCHEMBL18550602

SCHEMBL18550602

C=C(C)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPSR1 Q6W5P4 1/20 0.58
NAALAD2 Q9Y3Q0 1/20 0.56
ACE P12821 5/20 0.55
CPA1 P15085 4/20 0.55
ACE2 Q9BYF1 4/20 0.55
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.53
LMNA P02545 1/20 0.53
FPR2 P25090 3/20 0.52

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
SCHEMBL14213197 0.87 FOLH1 (0.62) MMENAALAD2ACECPA1ACE2
SCHEMBL2258793 0.87 TGFBR1 (0.57) MMEL3MBTL1NPSR1NAALAD2ACE
SCHEMBL346221 0.87 TGFBR1 (0.57) MMEL3MBTL1NPSR1NAALAD2ACE
Afalanine SCHEMBL8587729 0.86 CTSS (0.65) MMEL3MBTL1NPSR1NAALAD2ACE
Afalanine SCHEMBL158612 0.86 CTSS (0.65) MMEL3MBTL1NPSR1NAALAD2ACE
Afalanine SCHEMBL158613 0.86 CTSS (0.65) MMEL3MBTL1NPSR1NAALAD2ACE
Afalanine SCHEMBL331330 0.86 CTSS (0.65) MMEL3MBTL1NPSR1NAALAD2ACE
Afalanine SCHEMBL8054567 0.84 CTSS (0.63) MMEL3MBTL1NPSR1NAALAD2ACE
Afalanine SCHEMBL5493802 0.84 CTSS (0.68) MMEL3MBTL1NPSR1NAALAD2ACE
Afalanine SCHEMBL8054139 0.84 CTSS (0.63) MMEL3MBTL1NPSR1NAALAD2ACE

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-9701853-B2 Actinic ray-curable offset ink composition and printed item obtained therewith TOYO INK SC HOLDINGS CO., LTD. (JP) 2017-07-11 US disclosed
US-20170058134-A1 ACTINIC RAY-CURABLE OFFSET INK COMPOSITION AND PRINTED ITEM OBTAINED THEREWITH TOYO INK SC HOLDINGS CO., LTD. (JP) 2017-03-02 US disclosed