SCHEMBL6472071

SCHEMBL6472071

C=C(CCC(=O)C(=O)c1ccccc1I)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CES2 O00748 4/20 0.35
CES1 P23141 4/20 0.35
ERCC5 P28715 3/20 0.33
FEN1 P39748 3/20 0.33
PTPN1 P18031 2/20 0.33
EGFR P00533 2/20 0.33
PTPRF P10586 1/20 0.33
PTPN2 P17706 1/20 0.33
ALOX15 P16050 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
SCHEMBL6474442 0.91 CES2 (0.38) ALDH1A1MEN1KMT2ATDP1USP2
SCHEMBL6472434 0.91 CES2 (0.41) ALDH1A1MEN1KMT2ATDP1USP2
SCHEMBL6472601 0.89 CES2 (0.42) ALDH1A1MEN1KMT2ATDP1USP2
SCHEMBL6472064 0.89 CES2 (0.42) ALDH1A1MEN1KMT2ATDP1USP2
SCHEMBL6527030 0.82 CNR1 (0.37) ALDH1A1KMT2AUSP2LMNAPOLB
SCHEMBL6528803 0.78 MEN1 (0.41) ALDH1A1MEN1KMT2ATDP1USP2
SCHEMBL6472113 0.76 CYP1A2 (0.46) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL29875702 0.74 MEN1 (0.53) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL6475119 0.74 CNR1 (0.36) ALDH1A1USP2LMNAPOLBMAPT
SCHEMBL6474059 0.71 TAAR1 (0.46) ALDH1A1USP2LMNAPOLBMAPT

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
WO-2005109041-A1 COMPOSITIONS FOR USE IN THE MANUFACTURE OF LENSES MEDICAL POLYMERS LIMITED (GB) 2005-11-17 WO disclosed