SCHEMBL9242528

SCHEMBL9242528

C=CC(=O)OCc1c(C(C)(C)C)cc(O)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
TSHR P16473 8/20 0.37
ALDH1A1 P00352 7/20 0.36
HIF1A Q16665 4/20 0.36
TP53 P04637 3/20 0.36
CYP3A4 P08684 3/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 2/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
MIF P14174 1/20 0.34
TYR P14679 1/20 0.34
HTT P42858 1/20 0.34
NFE2L2 Q16236 1/20 0.34
THRB P10828 2/20 0.34
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL4462159 0.80 CYP2C19 (0.41) GAATSHRALDH1A1HIF1ATP53
SCHEMBL2265057 0.79 GAA (0.55) GAATSHRALDH1A1HIF1ATP53
SCHEMBL31122152 0.78 HSPA5 (0.57) GAATSHRALDH1A1HIF1ATP53
SCHEMBL9721288 0.78 HSPA5 (0.57) GAATSHRALDH1A1HIF1ATP53
SCHEMBL28339376 0.77 ALDH1A1 (0.44) GAATSHRALDH1A1HIF1ATP53
SCHEMBL28845858 0.77 VCAM1 (0.41) GAAALDH1A1SMN1; SMN2HSD17B10ALOX15
SCHEMBL11232750 0.75 GAA (0.47) GAATSHRALDH1A1HIF1ATP53
SCHEMBL11583200 0.75 HSPA5 (0.54) GAATSHRALDH1A1HIF1ACYP3A4
SCHEMBL5412953 0.74 GAA (0.56) GAATSHRALDH1A1HIF1ATP53
SCHEMBL1493625 0.73 THRB (0.43) GAATSHRALDH1A1HIF1ATP53

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5382633-A Modified polymers 3I RESEARCH EXPLOITATION LIMITED (GB) 1995-01-17 US claimed
EP-0431015-A1 MODIFIED POLYMERS 3i RESEARCH EXPLOITATION LIMITED (GB) 1991-06-12 EP claimed
EP-0357267-A1 Modified polymers 3i RESEARCH EXPLOITATION LIMITED (GB) 1990-03-07 EP claimed
WO-1990001506-A1 MODIFIED POLYMERS 3I RESEARCH EXPLOITATION LIMITED (GB) 1990-02-22 WO claimed
US-10266566-B2 Protease-resistant peptide ligands NORTH CAROLINA STATE UNIVERSITY (US) 2019-04-23 US disclosed
US-20160159859-A1 PROTEASE-RESISTANT PEPTIDE LIGANDS NORTH CAROLINA STATE UNIVERSITY 2016-06-09 US disclosed
EP-3022220-A1 PROTEASE-RESISTANT PEPTIDE LIGANDS North Carolina State University (US) 2016-05-25 EP disclosed
WO-2015009701-A1 PROTEASE-RESISTANT PEPTIDE LIGANDS NORTH CAROLINA STATE UNIVERSITY (US) 2015-01-22 WO disclosed
US-5382633-A Modified polymers 3I RESEARCH EXPLOITATION LIMITED (GB) 1995-01-17 US disclosed
EP-0357267-A1 Modified polymers 3i RESEARCH EXPLOITATION LIMITED (GB) 1990-03-07 EP disclosed