SCHEMBL9093296

SCHEMBL9093296

C=CC(C)C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
AKT1 P31749 1/20 0.48
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
ATM Q13315 2/20 0.47
XBP1 P17861 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
ALDH1A1 P00352 5/20 0.45
MDM2 Q00987 1/20 0.42
KMT2A Q03164 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
SCHEMBL14089105 0.82 ALDH1A1 (0.47) LMNAADRA2BSMN1; SMN2NPSR1MAPT
SCHEMBL5224169 0.81 PGR (0.48) LMNAPGRADRA2AADRA2BHTR2A
SCHEMBL27940323 0.80 CES2 (0.45) MAPTCES2CES1ALDH1A1TSHR
SCHEMBL26676884 0.80 LMNA (0.49) LMNAAKT1PGRADRA2AADRA2B
SCHEMBL11287380 0.78 LMNA (0.54) LMNAAKT1PGRADRA2AADRA2B
SCHEMBL1720153 0.78 AKT1 (0.52) LMNAAKT1PGRADRA2AADRA2B
SCHEMBL13174973 0.78 ALDH1A1 (0.50) LMNASMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL96304 0.78 TDP1 (0.54) LMNAPGRADRA2AADRA2BHTR2A
SCHEMBL6880869 0.78 PGR (0.46) LMNAPGRADRA2AADRA2BHTR2A
SCHEMBL14703165 0.78 PGR (0.46) LMNAPGRADRA2AADRA2BHTR2A

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
EP-1709087-B1 OLEFIN POLYMERIZATION CATALYST SYSTEM EXXONMOBIL CHEM PATENTS INC (US) 2008-09-03 EP disclosed
US-5490952-A REDUCING COMPLEX OF COPPER HALIDE OR CYANIDE AND ALKALI HALIDE WITH ALKALI SALT OF AROMATIC ANION; FOR SYNTHESIZING HIGHLY FUNCTIONAL ORGANIC COMPOUNDS UNIVERSITY OF NEBRASKA (US) 1996-02-13 US disclosed
WO-1992019623-A1 HIGHLY REACTIVE FORM OF COPPER AND REAGENTS THEREOF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1992-11-12 WO disclosed