SCHEMBL7595042

SCHEMBL7595042

COC(=O)CC(C=O)COC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 3/20 0.31
USP2 O75604 2/20 0.31
CYP3A4 P08684 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 1/20 0.31
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
PRKCA P17252 1/20 0.30

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
SCHEMBL13292115 0.79 TDP1 (0.38) GAATDP1TSHRALDH1A1HSD17B10
SCHEMBL4748897 0.77 TSHR (0.36) MGAMGAASIMGAM2TSHR
SCHEMBL2137700 0.76 TSHR (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL29038542 0.76 ALDH1A1 (0.42) GAATDP1TSHRALDH1A1HSD17B10
SCHEMBL18271802 0.73 TSHR (0.38) MGAMGAASIMGAM2TDP1
SCHEMBL11193956 0.73 TDP1 (0.37) TDP1ALDH1A1HSD17B10LMNAMAPT
SCHEMBL5339520 0.73 ALOX15 (0.44) GAATDP1TSHRALDH1A1HSD17B10
SCHEMBL12959158 0.72 TDP1 (0.44) MGAMGAASIMGAM2TDP1
SCHEMBL17755804 0.72 TSHR (0.34) MGAMGAASIMGAM2TSHR
SCHEMBL563304 0.72 TSHR (0.34) MGAMGAASIMGAM2TSHR

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-0867427-B1 Process for producing branched aldehydes KURARAY CO (JP) 2002-11-06 EP disclosed
US-5932761-A Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1999-08-03 US disclosed
EP-0867427-A1 Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1998-09-30 EP disclosed