SCHEMBL6904241

SCHEMBL6904241

CCCCOC(=O)c1cccc(Cl)c1C(=O)OCC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 3/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 6/20 0.49
LMNA P02545 3/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
ESR1 P03372 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
TRPA1 O75762 1/20 0.39
DHODH Q02127 1/20 0.39

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
SCHEMBL4627248 0.91 TSHR (0.66) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4625889 0.89 LMNA (0.43) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL4628606 0.87 TSHR (0.50) TSHRTDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL4626642 0.87 TSHR (0.60) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4628550 0.86 TSHR (0.56) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4627220 0.86 TSHR (0.56) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4628577 0.86 TSHR (0.56) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL7918899 0.85 ALDH1A1 (0.68) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4627303 0.85 TSHR (0.55) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL4627202 0.85 TSHR (0.55) TSHRTDP1L3MBTL1MAPK1CYP3A4

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-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US disclosed