SCHEMBL6233833

SCHEMBL6233833

CCCOc1cc(OC(=O)O)c(O)c(C(C)C)c1OCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.35
RXRA P19793 4/20 0.35
PPARG P37231 4/20 0.35
RARG P13631 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPRC P08575 2/20 0.32
PTPN2 P17706 2/20 0.32
PTPN1 P18031 2/20 0.32
PTPRB P23467 2/20 0.32
PTPN11 Q06124 2/20 0.32
GSTA1 P08263 2/20 0.32
GSTP1 P09211 2/20 0.32

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
SCHEMBL6235777 0.93 THRA (0.38) TP53RXRAPPARGRARGRXRB
SCHEMBL6231795 0.86 TSHR (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6233828 0.80 BCL2 (0.35) KMT2AMEN1TP53RXRAPPARG
SCHEMBL6232980 0.80 CYSLTR2 (0.40) KMT2AMEN1TP53PPARGMAPT
SCHEMBL5586579 0.79 RXRA (0.33) RXRAPPARGRARGKDM4EPTPRC
SCHEMBL6258847 0.78 KMT2A (0.36) KMT2AMEN1TP53RXRAPPARG
SCHEMBL5586857 0.77 RXRA (0.39) KMT2AMEN1TP53RXRAPPARG
SCHEMBL6233682 0.77 ALOX5 (0.40) KMT2AMEN1TP53
SCHEMBL5588020 0.76 THRA (0.43) ALDH1A1PTPN11AKR1C3
SCHEMBL6236994 0.76 TPMT (0.41) KMT2AMEN1ALDH1A1KDM4EMAPT

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-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed