SCHEMBL27719952

SCHEMBL27719952

CCC(=Cc1ccccc1)P(C(C)C)C(C)C.Cl[Zr](Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C3 P42330 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 2/20 0.32
FBP1 P09467 2/20 0.31
HTR2A P28223 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 SCHEMBL4457754 0.90 KDM1A (0.38) KDM1ARECQLMEN1KMT2ANR1I2
SCHEMBL4446578 0.73 KDM1A (0.43) KDM1ARECQLMEN1KMT2ANR1I2
Hydrochloric Acid SCHEMBL4451446 0.70 KDM1A (0.41) KDM1ARECQLMEN1KMT2ANR1I2
SCHEMBL27719984 0.68 KDM1A (0.41) KDM1ARECQLMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL4457776 0.68 KDM1A (0.39) KDM1ARECQLMEN1KMT2ANR1I2
SCHEMBL27740875 0.68 PGR (0.33) ALDH1A1TSHRHTR2A
SCHEMBL256034 0.65 KDM1A (0.50) KDM1ARECQLMEN1KMT2ANR1I2
SCHEMBL1486002 0.65 KDM1A (0.50) KDM1ARECQLMEN1KMT2ANR1I2
Hydrochloric Acid SCHEMBL4454009 0.65 AKR1C1 (0.39) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL59713 0.64 KDM1A (0.48) KDM1ARECQLMEN1KMT2ANR1I2

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
CN-101245084-B Phosphine-substituted vinyl-containing metallocene catalyst, and preparation method and application thereof PETROCHINA CO LTD 2013-02-20 CN disclosed
CN-101245084-A Phosphine-substituted vinyl-containing metallocene catalyst, and preparation method and application thereof PETROCHINA CO LTD (CN) 2008-08-20 CN disclosed