SCHEMBL11213822

SCHEMBL11213822

C=C(C)C(=O)Oc1c(Cl)c(OCC)c(S(=O)(=O)c2c(OCC)c(Cl)c(OC(=O)C(=C)C)c(Cl)c2OCC)c(OCC)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
IKBKB O14920 2/20 0.31
HTT P42858 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL11171137 0.82 THRB (0.35) THRB
SCHEMBL11177282 0.79 HTT (0.33) THRBIKBKBHTTALDH1A1MAPK1
SCHEMBL10385524 0.78 THRB (0.36) THRBHTTALDH1A1LMNA
SCHEMBL7071732 0.75 TSHR (0.39) THRBHTTALDH1A1LMNA
SCHEMBL10870996 0.75 ALDH1A1 (0.44) THRBALDH1A1
SCHEMBL937676 0.73 ALDH1A1 (0.42) THRBALDH1A1
SCHEMBL10606491 0.71 THRB (0.38) THRBALDH1A1
SCHEMBL10608315 0.71 THRB (0.42) THRBALDH1A1
SCHEMBL10718239 0.71 LMNA (0.41) THRBHTTALDH1A1LMNA
SCHEMBL4758789 0.70 THRB (0.37) THRBALDH1A1

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-0071395-A1 Beta-lactam antibacterial agents BEECHAM GROUP PLC (GB) 1983-02-09 EP claimed
US-4369298-A Novel cured resin, process for production thereof, and lens composed of said resin from bis(alkyleneoxyphenyl)-diacrylate, bis(alkyleneoxyphenyl)diallyl ether, bis(alkyleneoxyphenyl)diallyl carbonate monomers TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1983-01-18 US disclosed