SCHEMBL11178604

SCHEMBL11178604

CCOC(=O)CCOc1ccc(C(C)(Oc2ccc(Oc3nc4ccc(Cl)cc4s3)cc2)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.42
PTPN1 P18031 1/20 0.42
TP53 P04637 2/20 0.39
PPARD Q03181 3/20 0.38
PPARG P37231 5/20 0.37
CSNK1D P48730 2/20 0.37
LMNA P02545 2/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1B Q00975 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NR4A1 P22736 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10654126 0.89 PTPN1 (0.48) PPARAPTPN1TP53PPARDPPARG
SCHEMBL11174251 0.82 DHODH (0.35) PPARAPPARGKDM4ETDP1NR4A1
SCHEMBL10972723 0.80 PTPN1 (0.41) PPARAPTPN1TP53PPARDPPARG
SCHEMBL8582569 0.78 PPARD (0.52) PPARATP53PPARDPPARGTDP1
SCHEMBL8719363 0.77 PPARA (0.53) PPARAPTPN1PPARGCSNK1DMAPT
SCHEMBL18580361 0.76 PPARA (0.57) PPARAPTPN1PPARDPPARGMAPT
SCHEMBL9204016 0.75 PPARA (0.59) PPARAPTPN1PPARGMAPTSMN1; SMN2
SCHEMBL12667940 0.72 TDP1 (0.48) PPARAPTPN1PPARDKDM4ETDP1
SCHEMBL8582571 0.71 PPARA (0.46) PPARAPTPN1CSNK1DMAPTKMT2A
SCHEMBL18592608 0.71 PTPN1 (0.49) PPARAPTPN1TP53CSNK1DLMNA

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-4383850-A Benzthiazole or benzoxazole ethers, herbicidal compositions and use HOECHST AKTIENGESELLSCHAFT (DE) 1983-05-17 US claimed