SCHEMBL14142181

SCHEMBL14142181

CC(C)[C@H](NC(=O)CBr)C(=O)O.O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1CCO

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
MAP1LC3B Q9GZQ8 3/20 0.34
MBTPS1 Q14703 1/20 0.34
DDB1 Q16531 3/20 0.33
CRBN Q96SW2 3/20 0.33
ELANE P08246 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRM2 P08172 1/20 0.33
OPRM1 P35372 1/20 0.33
IKZF3 Q9UKT9 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
SDCBP O00560 1/20 0.32
SDC2 P34741 1/20 0.32

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
SCHEMBL14142216 0.90 KMT2A (0.35) KMT2AFNTAFNTBMAP1LC3BDDB1
SCHEMBL14294653 0.86 MAP1LC3B (0.39) KMT2AMAP1LC3BDDB1CRBNALDH1A1
SCHEMBL14142180 0.86 MAP1LC3B (0.39) KMT2AMAP1LC3BDDB1CRBNALDH1A1
SCHEMBL14142266 0.85 KMT2A (0.43) KMT2ADDB1CRBNELANETSHR
Alanine SCHEMBL14142108 0.84 DDB1 (0.40) KMT2AMAP1LC3BDDB1CRBNELANE
SCHEMBL2919213 0.84 CYP3A4 (0.39) KMT2AMAP1LC3BDDB1CRBNALDH1A1
SCHEMBL2915694 0.84 CYP3A4 (0.39) KMT2AMAP1LC3BDDB1CRBNALDH1A1
Bromoacetic Acid SCHEMBL4940372 0.84 DDB1 (0.41) MAP1LC3BDDB1CRBNALDH1A1CHRM2
SCHEMBL14142420 0.83 PREP (0.42) ELANEALDH1A1CYP1A2
Valine SCHEMBL14142152 0.82 DDB1 (0.37) KMT2AMAP1LC3BDDB1CRBNELANE

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-1867649-B1 PIPERIDYL-2, 6-DIONE DERIVATIVES USED TO INHIBIT CELLS FROM RELEASING TUMOR NECROSIS FACTOR TIAN JIN HEMAY BIO TECH CO LTD (CN) 2012-12-12 EP claimed