SCHEMBL16340342

SCHEMBL16340342

CC(C)CCCC(C)CCCC(C)CCOc1ccc(OCCC(C)CCCC(C)CCCC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
FDPS P14324 2/20 0.52
MAPK1 P28482 1/20 0.51
ALOX5 P09917 1/20 0.51
LMNA P02545 1/20 0.50
RARB P10826 1/20 0.49
EPHX2 P34913 1/20 0.49
GGPS1 O95749 1/20 0.45
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
GSTO1 P78417 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 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
SCHEMBL6857008 1.00 TDP1 (0.58) TDP1FDPSMAPK1ALOX5LMNA
SCHEMBL4966397 0.93 TDP1 (0.51) TDP1FDPSMAPK1ALOX5LMNA
SCHEMBL6852447 0.91 TDP1 (0.50) TDP1FDPSMAPK1ALOX5LMNA
SCHEMBL19549608 0.91 TDP1 (0.50) TDP1FDPSMAPK1ALOX5LMNA
SCHEMBL8847272 0.91 TDP1 (0.50) TDP1FDPSMAPK1ALOX5LMNA
SCHEMBL15301868 0.91 TDP1 (0.50) TDP1FDPSMAPK1ALOX5LMNA
SCHEMBL8847266 0.91 TDP1 (0.50) TDP1FDPSMAPK1ALOX5LMNA
SCHEMBL2050248 0.91 ALOX5 (0.55) TDP1FDPSMAPK1ALOX5LMNA
SCHEMBL22282470 0.91 TDP1 (0.50) TDP1FDPSMAPK1ALOX5LMNA
SCHEMBL8847274 0.91 TDP1 (0.50) TDP1FDPSMAPK1ALOX5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013925-B1 LUBRICATING COMPOSITIONS CONTAINING ISOPRENE BASED COMPONENTS CASTROL LTD (GB) 2019-08-07 EP disclosed
EP-3013925-B1 LUBRICATING COMPOSITIONS CONTAINING ISOPRENE BASED COMPONENTS CASTROL LTD (GB) 2019-08-07 EP disclosed
US-10125335-B2 Lubricating compositions containing isoprene based components CASTROL LIMITED (GB) 2018-11-13 US disclosed
US-20160137945-A1 LUBRICATING COMPOSITIONS CONTAINING ISOPRENE BASED COMPONENTS CASTROL LIMITED (GB) 2016-05-19 US disclosed
US-20160137945-A1 LUBRICATING COMPOSITIONS CONTAINING ISOPRENE BASED COMPONENTS CASTROL LIMITED (GB) 2016-05-19 US disclosed
US-20160137945-A1 LUBRICATING COMPOSITIONS CONTAINING ISOPRENE BASED COMPONENTS CASTROL LIMITED (GB) 2016-05-19 US disclosed
EP-3013925-A1 LUBRICATING COMPOSITIONS CONTAINING ISOPRENE BASED COMPONENTS Castrol Limited (GB) 2016-05-04 EP disclosed
WO-2014207235-A1 LUBRICATING COMPOSITIONS CONTAINING ISOPRENE BASED COMPONENTS CASTROL LIMITED (GB) 2014-12-31 WO disclosed
WO-2014207235-A1 LUBRICATING COMPOSITIONS CONTAINING ISOPRENE BASED COMPONENTS CASTROL LIMITED (GB) 2014-12-31 WO disclosed