SCHEMBL6447588

SCHEMBL6447588

CC(C)(C1c2ccccc2-c2cccc(OCCO)c21)C1c2ccccc2-c2cccc(OCCO)c21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HTR7 P34969 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRB2 P07550 4/20 0.40
LMNA P02545 3/20 0.40
ADRB1 P08588 1/20 0.40
POLB P06746 1/20 0.39
AR P10275 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.38

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
SCHEMBL6066585 0.78 HTR2A (0.30)
SCHEMBL6446604 0.77 PDCD1 (0.33) ALDH1A1POLB
SCHEMBL6451039 0.76 MEN1 (0.39) ALDH1A1HTR7MEN1KMT2AADRB2
SCHEMBL6472383 0.75 PDCD1 (0.32) ALDH1A1POLB
SCHEMBL28980776 0.75 ADRB2 (0.44) ALDH1A1HTR7MEN1KMT2AADRB2
SCHEMBL28896928 0.73 TP53 (0.50) ALDH1A1HTR7MEN1KMT2AADRB2
SCHEMBL6447932 0.72 MEN1 (0.36) ALDH1A1HTR7MEN1KMT2AADRB2
SCHEMBL6447716 0.71 MEN1 (0.36) ALDH1A1HTR7MEN1KMT2AADRB2
SCHEMBL159005 0.70 TP53 (0.69) ALDH1A1HTR7MEN1KMT2AADRB2
SCHEMBL29418129 0.70 TP53 (0.69) ALDH1A1HTR7MEN1KMT2AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065018-A1 Preparation and use of heterogeneous catalyst components for olefins polymerization (1) REPSOL QUIMICA S.A. 2005-03-24 US disclosed
EP-0953580-B1 Preparation and use of heterogeneous catalyst components for olefins polymerization REPSOL QUIMICA SA (ES) 2004-04-14 EP disclosed
US-20030144135-A1 PREPARATION AND USE OF HETEROGENEOUS CATALYST COMPONENTS FOR OLEFINS POLYMERIZATION REPSOL QUIMICA S.A. (ES) 2003-07-31 US disclosed
EP-0955306-B1 Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA SA (ES) 2003-01-22 EP disclosed
US-6114555-A Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA S.A. (ES) 2000-09-05 US disclosed
EP-0955306-A1 Functionalized metallocene compounds, synthesis process and use thereof REPSOL QUIMICA S.A. (ES) 1999-11-10 EP disclosed
EP-0953580-A1 Preparation and use of heterogeneous catalyst components for olefins polymerization REPSOL QUIMICA S.A. (ES) 1999-11-03 EP disclosed