SCHEMBL7659987

SCHEMBL7659987

CCCCCOC(=O)C(C(=O)OCCCCC)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
EPHX2 P34913 2/20 0.49
NAAA Q02083 1/20 0.44
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 6/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7658530 0.98 TSHR (0.57) TSHREPHX2NAAAMAPK1EPHX1
SCHEMBL7662341 0.98 TSHR (0.57) TSHREPHX2NAAAMAPK1EPHX1
SCHEMBL7654322 0.98 TSHR (0.57) TSHREPHX2NAAAMAPK1EPHX1
SCHEMBL6058467 0.95 TSHR (0.52) TSHREPHX2NPSR1L3MBTL1EPHX1
SCHEMBL27628754 0.90 TSHR (0.59) TSHREPHX2NPSR1L3MBTL1ALDH1A1
SCHEMBL7667036 0.87 TSHR (0.48) TSHRNPSR1L3MBTL1EPHX1ALDH1A1
SCHEMBL28342749 0.84 EPHX2 (0.48) TSHREPHX2NAAAMAPK1NPSR1
SCHEMBL6062973 0.83 TSHR (0.44) TSHRNPSR1L3MBTL1EPHX1ALDH1A1
SCHEMBL5709969 0.81 TSHR (0.48) TSHREPHX2NAAAMAPK1NPSR1
SCHEMBL13517332 0.81 TSHR (0.45) TSHREPHX2NPSR1ALDH1A1

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