SCHEMBL839119

SCHEMBL839119

CCNC(Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.55
MMP2 P08253 2/20 0.48
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
MME P08473 4/20 0.47
FOLH1 Q04609 1/20 0.46
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
MEN1 O00255 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
SCHEMBL18614301 1.00 FPR2 (0.55) FPR2MMP2MMP1MMP3MMP7
Hydrochloric Acid SCHEMBL1681289 0.98 FPR2 (0.54) FPR2MMP2MMP1MMP3MMP7
SCHEMBL25764849 0.85 TDP1 (0.52) MMP9MMEFOLH1KMT2AACE
SCHEMBL1287829 0.85 FOLH1 (0.61) MMEFOLH1KMT2AACECPA1
SCHEMBL547121 0.85 FOLH1 (0.61) MMEFOLH1KMT2AACECPA1
SCHEMBL1097668 0.85 FPR2 (0.52) FPR2MMP2MMP1MMP3MMP7
SCHEMBL547122 0.85 FOLH1 (0.61) MMEFOLH1KMT2AACECPA1
SCHEMBL25764848 0.85 TDP1 (0.52) MMP9MMEFOLH1KMT2AACE
SCHEMBL7271174 0.84 SIGMAR1 (0.56) FPR2MMEFOLH1ACECPA1
SCHEMBL839840 0.84 SIGMAR1 (0.56) FPR2MMEFOLH1ACECPA1

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-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed