SCHEMBL4649834

SCHEMBL4649834

CCOC(=O)C1(C(C)(C)C)CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.35
ABCB11 O95342 1/20 0.35
MAPK1 P28482 1/20 0.35
ALOX15 P16050 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRM1 P35372 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
SCHEMBL6447041 0.82 ATM (0.47) ATMALDH1A1LMNAHSD17B10POLB
SCHEMBL6447044 0.82 ATM (0.47) ATMALDH1A1LMNAHSD17B10POLB
SCHEMBL12203107 0.74 ATM (0.38) ATMALDH1A1POLBMAPTMAPK1
SCHEMBL9856940 0.74 ALDH1A1 (0.46) ATMALDH1A1LMNAHSD17B10POLB
SCHEMBL15957787 0.73 ATM (0.42) ATMALDH1A1LMNAHSD17B10POLB
SCHEMBL9206727 0.72
SCHEMBL12946906 0.71
SCHEMBL16075830 0.71 ALDH1A1 (0.39) ATMALDH1A1LMNAHSD17B10POLB
SCHEMBL14967401 0.71 LMNA (0.46) ATMALDH1A1LMNAHSD17B10POLB
SCHEMBL25061544 0.70 ATM (0.38) ATMLMNAPOLBGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836264-B1 ALKOXYLATED TRIPHENYLMETHANE DYES MILLIKEN & CO (US) 2008-09-10 EP disclosed
EP-1836264-A2 ALKOXYLATED TRIPHENYLMETHANE DYES Milliken & Company (US) 2007-09-26 EP disclosed
US-7097669-B2 Colorant compositions MILLIKEN & COMPANY (US) 2006-08-29 US disclosed
WO-2006055782-A2 ALKOXYLATED TRIPHENYLMETHANE DYES MILLIKEN & COMPANY (US) 2006-05-26 WO disclosed
US-20060101593-A1 Colorant compositions MILLIKEN & COMPANY, M-495 2006-05-18 US disclosed