SCHEMBL6550363

SCHEMBL6550363

CCOC(=O)C(CP(=O)(OCC)OCC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 4/20 0.41
PPARD Q03181 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.35
MMP8 P22894 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL8967799 0.88 TSHR (0.48) MAPTMAPK1TSHRPPARDTDP1
SCHEMBL12925134 0.85 TSHR (0.39) MAPTMAPK1TSHRPPARDTDP1
SCHEMBL12898228 0.82 TSHR (0.36) MAPTMAPK1TSHRPPARDTDP1
SCHEMBL11153992 0.78 TSHR (0.43) MAPTMAPK1TSHRPPARDTDP1
SCHEMBL816257 0.76 TSHR (0.44) MAPTMAPK1TSHRPPARDTDP1
SCHEMBL29159494 0.76 TSHR (0.44) MAPTMAPK1TSHRPPARDTDP1
SCHEMBL21828165 0.74 TSHR (0.43) MAPTMAPK1TSHRPPARDTDP1
SCHEMBL9119275 0.73 TSHR (0.42) MAPTMAPK1TSHRPPARDTDP1
SCHEMBL30371946 0.72 ALDH1A1 (0.46) MAPTTDP1MEN1KMT2APOLB
SCHEMBL663775 0.72 ALDH1A1 (0.46) TDP1MEN1KMT2AMMP8ALDH1A1

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
JP-2000500758-A 2000-01-25 JP claimed
EP-0862575-A1 NOVEL GERANYLGERANYL-DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND RELATED PHARMACEUTICAL COMPOSITIONS LABORATORI BALDACCI Spa (IT) 1998-09-09 EP claimed
EP-0862575-B1 NOVEL GERANYLGERANYL-DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND RELATED PHARMACEUTICAL COMPOSITIONS BALDACCI LAB SPA (IT) 2004-02-11 EP disclosed
US-6242433-B1 HAVING ANTIPROLIFERATIVE ACTIVITY IN EUKARYOTIC CELLS WITH RESPECT TO THE INHIBITION OF PROTEIN GERANYGERANYLATION. LABORATORI BALDACCI SPA (IT) 2001-06-05 US disclosed
EP-0862575-A1 NOVEL GERANYLGERANYL-DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND RELATED PHARMACEUTICAL COMPOSITIONS LABORATORI BALDACCI Spa (IT) 1998-09-09 EP disclosed