SCHEMBL2478271

SCHEMBL2478271

C=CC(=O)OCCc1cc(C(=O)c2ccc(Cl)cc2)ccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.41
THRB P10828 1/20 0.40
TSHR P16473 6/20 0.40
GAA P10253 1/20 0.40
NR4A1 P22736 1/20 0.40
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LSS P48449 1/20 0.37
ELANE P08246 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SERPINE1 P05121 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34

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
SCHEMBL2320779 0.87 THRB (0.48) THRBTSHRGAAL3MBTL1ALDH1A1
SCHEMBL9506717 0.83 THRB (0.46) SRD5A2THRBTSHRPOLBTDP1
SCHEMBL10868118 0.81 THRB (0.44) THRBTSHRTDP1L3MBTL1ALDH1A1
SCHEMBL4578981 0.78 THRB (0.47) THRBTSHRTDP1ALDH1A1TP53
SCHEMBL28626780 0.78 THRB (0.47) THRBTSHRGAAPOLBTDP1
SCHEMBL1009964 0.78 GAA (0.49) SRD5A2THRBTSHRGAATDP1
SCHEMBL10892162 0.77 THRB (0.46) THRBTSHRGAAPOLBTDP1
SCHEMBL10894868 0.77 THRB (0.46) THRBTSHRGAAPOLBTDP1
SCHEMBL6283584 0.75 DCLRE1B (0.54) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10893111 0.75 POLB (0.47) THRBTSHRGAAPOLBTDP1

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
EP-2376550-A1 MODIFIED POLYVINYLLACTAMS BASF SE (DE) 2011-10-19 EP disclosed
WO-2010066613-A1 MODIFIED POLYVINYLLACTAMS BASF SE (DE) 2010-06-17 WO disclosed