SCHEMBL9004822

SCHEMBL9004822

COCC1(C)OCC(C)(C(=O)c2ccccc2)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
MAPK1 P28482 3/20 0.35
TSHR P16473 2/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
AKT1 P31749 1/20 0.34
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 3/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
PSMB8 P28062 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9315381 1.00 LMNA (0.37) LMNAMAPK1TSHRCES2CES1
SCHEMBL9314643 0.82 LMNA (0.38) LMNAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL9004975 0.82 LMNA (0.38) LMNAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL9718676 0.78 LMNA (0.46) LMNATSHRCES2CES1KMT2A
SCHEMBL9004751 0.77 LMNA (0.40) LMNATSHRCES2CES1KMT2A
SCHEMBL9004904 0.72 LMNA (0.36) LMNAMAPK1TSHRCES2CES1
SCHEMBL9004647 0.71 ALDH1A1 (0.36) LMNAMAPK1TSHRCES2CES1
SCHEMBL9314611 0.71 ALDH1A1 (0.36) LMNAMAPK1TSHRCES2CES1
SCHEMBL9718661 0.68 LMNA (0.40) LMNAMAPK1TSHRCES2CES1
SCHEMBL9004919 0.68 CES2 (0.46) CES2CES1KMT2AL3MBTL1MAPT

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 26 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
US-5288917-A Benzil ketals; end-capped polyoxyyethylene glycol; mixed with titanocene-type initiators CIBA-GEIGY CORPORATION (US) 1994-02-22 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
EP-0401166-A2 Nitrogen-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-0255486-A2 Titanocenes and their use CIBA-GEIGY AG (CH) 1988-02-03 EP disclosed
EP-0242330-A1 Liquid blend of photoinitiators CIBA-GEIGY AG (CH) 1987-10-21 EP disclosed