SCHEMBL845137

SCHEMBL845137

CCCC(NC(=O)c1ccccc1C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.50
CYP2C9 P11712 2/20 0.50
MME P08473 1/20 0.49
PADI1 Q9ULC6 2/20 0.47
PADI3 Q9ULW8 2/20 0.47
PADI4 Q9UM07 2/20 0.47
FPR2 P25090 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
APEX1 P27695 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL9134702 0.91 CA2 (0.53) PYGLCYP2C9MMEPADI1PADI3
SCHEMBL4775100 0.84 NAALAD2 (0.56) PADI1PADI3PADI4KDM4ENFKB1
SCHEMBL30615313 0.84 NAALAD2 (0.56) PADI1PADI3PADI4KDM4ENFKB1
SCHEMBL29772335 0.84 NAALAD2 (0.56) PADI1PADI3PADI4KDM4ENFKB1
SCHEMBL4775097 0.84 NAALAD2 (0.56) PADI1PADI3PADI4KDM4ENFKB1
SCHEMBL30615312 0.84 NAALAD2 (0.56) PADI1PADI3PADI4KDM4ENFKB1
SCHEMBL2329886 0.84 ALDH1A1 (0.56) ALDH1A1FNTAFNTB
SCHEMBL2329890 0.84 ALDH1A1 (0.56) ALDH1A1FNTAFNTB
SCHEMBL2331801 0.84 PADI1 (0.44) PYGLCYP2C9PADI1PADI3PADI4
SCHEMBL10023942 0.83 PADI1 (0.52) PYGLCYP2C9PADI1PADI3PADI4

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
US-8143283-B1 Methods for treating blood-born tumors with thalidomide THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2012-03-27 US disclosed