SCHEMBL5597349

SCHEMBL5597349

CC1=CC(C)([Zr]C2=CC=CC2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PGR P06401 1/20 0.31

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
Hydrochloric Acid SCHEMBL3672122 0.98 ALDH1A1 (0.34) ALDH1A1CYP3A4HSD17B10TDP1KDM4E
SCHEMBL7549569 0.75
Hydrochloric Acid SCHEMBL3681018 0.74
Hydrochloric Acid SCHEMBL3672116 0.70 ALDH1A1 (0.33) ALDH1A1CYP3A4HSD17B10TDP1KDM4E
SCHEMBL7542809 0.70
Hydrochloric Acid SCHEMBL3670081 0.70 OXTR (0.32)
Fluoride SCHEMBL1130605 0.70 OXTR (0.32)
SCHEMBL6652033 0.69
Hydrochloric Acid SCHEMBL7549578 0.69
SCHEMBL20336768 0.68 ALDH1A1 (0.31) ALDH1A1CYP3A4HSD17B10TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325073-B1 METALLOCENE-PRODUCED VERY LOW DENSITY POLYETHYLENES EXXONMOBIL CHEM PATENTS INC (US) 2007-05-09 EP disclosed