SCHEMBL16045751

SCHEMBL16045751

CC(C)C(OC(=O)c1ccccc1)C(C)(C)COS(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 3/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
RAB9A P51151 3/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HTT P42858 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
SCHEMBL720787 0.81 MAPK1 (0.54) KMT2AMEN1CYP2D6LMNACYP1A2
SCHEMBL16047366 0.81 PARL (0.34) TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL16045753 0.80 MAPK1 (0.47) KMT2ACYP2D6LMNACYP1A2SCN1A
SCHEMBL157372 0.79 MAPK1 (0.44) KMT2AMEN1CYP2D6LMNACYP1A2
SCHEMBL1986305 0.78 MEN1 (0.47) KMT2AMEN1CYP2D6LMNACYP1A2
SCHEMBL16047488 0.77 MAPK1 (0.42) KMT2AMEN1CYP2D6LMNACYP1A2
SCHEMBL16044096 0.76 MAPK1 (0.54) KMT2ACYP2D6LMNASCN1ASCN2A
SCHEMBL16044733 0.76 LMNA (0.49) KMT2AMEN1CYP2D6LMNACYP1A2
SCHEMBL16044767 0.75 ALDH1A1 (0.42) KMT2AMEN1CYP2D6LMNACYP1A2
SCHEMBL16046879 0.75 PDCD1 (0.40) KMT2AMEN1CYP2D6LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969201-B1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORP USA (US) 2022-05-04 EP disclosed
US-9790291-B2 Non-phthalate compounds as electron donors for polyolefin catalysts FORMOSA PLASTICS CORPORATION, USA (US) 2017-10-17 US disclosed
US-20140275456-A1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORPORATION, USA (US) 2014-09-18 US disclosed