SCHEMBL7187809

SCHEMBL7187809

CCCCCc1ccc(C)c2c1C=C(C)C2[Zr](Cl)(Cl)C1C(C)=Cc2c(CCCCC)ccc(C)c21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.37
ALOX5 P09917 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS2 P35354 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
SCHEMBL7186664 0.99 TYR (0.39) TYRALOX5MEN1TP53CYP3A4
SCHEMBL7195455 0.96 TYR (0.32) TYR
SCHEMBL7187799 0.90
SCHEMBL7195399 0.81
SCHEMBL7195451 0.80
SCHEMBL27430400 0.78 TYR (0.40) TYRALOX5MEN1TP53CYP3A4
SCHEMBL27492757 0.78 TYR (0.37) TYRALOX5MEN1TP53CYP3A4
SCHEMBL27451586 0.77 TYR (0.42) TYRALOX5MEN1TP53CYP3A4
SCHEMBL27509854 0.77 TYR (0.39) TYRALOX5MEN1TP53CYP3A4
SCHEMBL1240057 0.74 TYR (0.34) TYR

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
US-6632885-B2 Using coordination catalyst MITSUI CHEMICALS, INC. (JP) 2003-10-14 US disclosed
US-20030049477-A1 Soft syndiotactic polypropylene composition and molded product MORIZONO KENICHI (JP) 2003-03-13 US disclosed
EP-1118638-A1 FLEXIBLE SYNDIOTACTIC POLYPROPYLENE COMPOSITIONS AND MOLDED OBJECT Mitsui Chemicals, Inc. (JP) 2001-07-25 EP disclosed