SCHEMBL4538628

SCHEMBL4538628

CC(C)(O)Cc1ccc(OCCN(CCO)CCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
LTA4H P09960 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SCN1A P35498 1/20 0.39

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
SCHEMBL358896 0.84 CYP3A4 (0.53) HRH3CYP3A4MEN1LMNAKMT2A
SCHEMBL21483744 0.79 HRH3 (0.41) EBPSIGMAR1HRH3MMP1MMP9
SCHEMBL8391003 0.77 APP (0.50) EBPSIGMAR1CYP2D6CYP2C19LTA4H
SCHEMBL4562696 0.77 EBP (0.46) EBPSIGMAR1CYP2D6CYP1A2CYP2C9
SCHEMBL21708843 0.74 APP (0.55) EBPSIGMAR1HRH3TSHR
SCHEMBL1333744 0.73 ALDH1A1 (0.63) EBPSIGMAR1CYP2D6CYP2C19LTA4H
SCHEMBL22831345 0.73 ALDH1A1 (0.63) EBPSIGMAR1CYP2D6CYP2C19LTA4H
Phenoxyethanol SCHEMBL3231357 0.73 RECQL (0.63) SIGMAR1CYP3A4TSHRSMN1; SMN2
SCHEMBL9027655 0.73 NR5A1 (0.59) LTA4HCYP3A4MEN1LMNATSHR
SCHEMBL13819820 0.72 CYP3A4 (0.51) EBPSIGMAR1HRH3CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638076-A2 NOVEL PHOTOINITIATORS Coloplast A/S (DK) 2013-09-18 EP claimed
WO-2012062332-A2 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2012-05-18 WO claimed