SCHEMBL7658530

SCHEMBL7658530

CCCCCCCOC(=O)C(C(=O)OCCCCCCC)C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
EPHX2 P34913 3/20 0.48
NAAA Q02083 2/20 0.47
EPHX1 P07099 9/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7654322 1.00 TSHR (0.57) TSHREPHX2NAAAEPHX1GAA
SCHEMBL7662341 1.00 TSHR (0.57) TSHREPHX2NAAAEPHX1GAA
SCHEMBL7659987 0.98 TSHR (0.55) TSHREPHX2NAAAEPHX1GAA
SCHEMBL6058467 0.93 TSHR (0.52) TSHREPHX2EPHX1
SCHEMBL27628754 0.88 TSHR (0.59) TSHREPHX2
SCHEMBL7667036 0.85 TSHR (0.48) TSHREPHX1
SCHEMBL5709969 0.83 TSHR (0.48) TSHREPHX2NAAAEPHX1GAA
SCHEMBL28342749 0.83 EPHX2 (0.48) TSHREPHX2NAAAEPHX1GAA
SCHEMBL11036190 0.82 THRB (0.61) TSHREPHX2NAAAEPHX1GAA
SCHEMBL5709873 0.82 TSHR (0.47) TSHREPHX2NAAAEPHX1GAA

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
US-6495639-B1 STEREOSPECIFIC HOMO- OR CO- SLURRY POLYMERIZATION; TITANIUM AND MAGNESIUM DIESTER COMPLEX WITH SUCH AS TRIETHYLALUMINIUM AND DICYCLOPENTYLDIMETHOXYSILANE; HIGH ACTIVITY, SAFE, INEXPENSIVE, EASY TO PRODUCE IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-6204215-B1 AS POLYMERIZATION CATALYST FOR PRODUCING STEREOSPECIFIC POLYMERS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-03-20 US disclosed