SCHEMBL9005002

SCHEMBL9005002

CCCCOC(OCC)C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
TSHR P16473 3/20 0.44
TP53 P04637 2/20 0.44
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLA2G4B P0C869 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
GAA P10253 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
SCHEMBL131571 0.97 LMNA (0.47) LMNATSHRTP53CES2CES1
SCHEMBL9577653 0.92 TSHR (0.54) LMNATSHRTP53CES2CES1
SCHEMBL10942655 0.92 ELANE (0.50) LMNAL3MBTL1SMN1; SMN2MAPTGAA
SCHEMBL7589520 0.90 TSHR (0.51) LMNATSHRTP53CES2CES1
SCHEMBL9004805 0.88 TP53 (0.47) LMNATSHRTP53PLA2G4BSMN1; SMN2
SCHEMBL23238 0.88 PGR (0.52) LMNATSHRCES2CES1L3MBTL1
SCHEMBL5168028 0.88 PGR (0.52) LMNATSHRCES2CES1L3MBTL1
SCHEMBL2808852 0.87 LMNA (0.41) LMNATSHRTP53CES2CES1
SCHEMBL7638637 0.86 LMNA (0.55) LMNACES2CES1L3MBTL1TDP1
Benzene SCHEMBL28162079 0.86 PGR (0.50) LMNATSHRCES2CES1L3MBTL1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510539-A LIQUID KETALS; LONG DARK STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-04-23 US disclosed
EP-0401166-B1 Nitrogen-containing titanocenes and their use CIBA GEIGY AG (CH) 1995-02-22 EP disclosed
EP-0401165-B1 New oxygen-containing titanocenes and their use CIBA GEIGY AG (CH) 1994-11-30 EP disclosed
US-5306600-A Oxygen-containing titanocenes, and the use thereof CIBA-GEIGY CORPORATION (US) 1994-04-26 US disclosed
EP-0318894-B1 Titanocenes, their use and N-substituted pyrroles CIBA GEIGY AG (CH) 1994-02-16 EP disclosed
EP-0318893-B1 Titanocenes, their use and N-substituted fluoroanilines CIBA GEIGY AG (CH) 1994-01-19 EP disclosed
EP-0255486-B1 TITANOCENES AND THEIR USE CIBA-GEIGY AG (CH) 1993-06-16 EP disclosed
US-5192642-A Photoinitiators for addition photopolymerization, coatings CIBA-GEIGY CORPORATION (US) 1993-03-09 US disclosed
EP-0256981-B1 TITANOCENES AND THEIR USE CIBA-GEIGY AG (CH) 1993-02-17 EP disclosed
US-5068371-A Photoinitiators for polymerization CIBA-GEIGY CORPORATION (US) 1991-11-26 US disclosed
EP-0401166-A2 Nitrogen-containing titanocenes and their use CIBA-GEIGY AG (CH) 1990-12-05 EP disclosed
EP-0401165-A1 New oxygen-containing titanocenes and their use CIBA-GEIGY AG (CH) 1990-12-05 EP disclosed
US-4970136-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1990-11-13 US disclosed
US-4963470-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1990-10-16 US disclosed
EP-0242330-B1 LIQUID BLEND OF PHOTOINITIATORS CIBA-GEIGY AG (CH) 1990-05-16 EP disclosed
US-4857654-A Titanocenes and their use CIBA-GEIGY CORPORATION (US) 1989-08-15 US disclosed
EP-0318893-A2 Titanocenes, their use and N-substituted fluoroanilines CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed
EP-0318894-A2 Titanocenes, their use and N-substituted pyrroles CIBA-GEIGY AG (CH) 1989-06-07 EP disclosed
EP-0256981-A2 Titanocenes and their use CIBA-GEIGY AG (CH) 1988-02-24 EP disclosed
EP-0242330-A1 Liquid blend of photoinitiators CIBA-GEIGY AG (CH) 1987-10-21 EP disclosed