SCHEMBL8384756

SCHEMBL8384756

CC(C)CCOc1cc(OCCC(C)C)nc(OCCC(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
PPARG P37231 1/20 0.47
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8382888 0.88 PPARG (0.42) ALOX5PPARGGABRPGABRDGABRA1
SCHEMBL10203001 0.80 RAB9A (0.45) ALOX5PPARGGABRPGABRDGABRA1
SCHEMBL23559726 0.79 TDP1 (0.42) ALOX5PPARGTLR8TDP1MCHR1
SCHEMBL4278660 0.77 ALDH1A1 (0.41) ALOX5PPARGGABRPGABRDGABRA1
SCHEMBL21876011 0.76 TDP1 (0.44) ALOX5PPARGTLR8TDP1MCHR1
SCHEMBL17127911 0.76 NOS3 (0.41) ALOX5PPARGGABRPGABRDGABRA1
SCHEMBL8383704 0.75
SCHEMBL4264141 0.75 MEN1 (0.43) ALOX5PPARGGABRPGABRDGABRA1
SCHEMBL8386250 0.74 ALOX5 (0.43) ALOX5PPARGGABRPGABRDGABRA1
SCHEMBL16464168 0.74 CDK1 (0.46) ALOX5PPARGGABRPGABRDGABRA1

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-0565488-B1 Fluorine free titanocenes and their application CIBA GEIGY AG (CH) 1999-04-21 EP disclosed
US-5340701-A Photoinitiators CIBA-GEIGY CORPORATION (US) 1994-08-23 US disclosed
EP-0565488-A1 Fluorine free titanocenes and their application CIBA-GEIGY AG (CH) 1993-10-13 EP disclosed