SCHEMBL8996441

SCHEMBL8996441

CCOC(=O)CC(CCC(=O)O)P(=O)(O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
FOLH1 Q04609 5/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34

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
SCHEMBL7715959 0.82 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL7718907 0.78 L3MBTL1 (0.41) TSHRCYP3A4ALOX15TDP1MGAM
SCHEMBL11328711 0.76 KMT2A (0.43) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL7718951 0.74 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL3584803 0.72 GABRP (0.47) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL11373686 0.72 GABRP (0.42) ALDH1A1TSHRGABRPGABRDGABRA1
SCHEMBL7718880 0.71 L3MBTL1 (0.42) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL7718953 0.70 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL7716766 0.70 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL10134701 0.69 GABRP (0.39) ALDH1A1TSHRCYP3A4ALOX15TDP1

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
US-5480873-A ARTHRITIS LILLY INDUSTRIES LIMITED (GB) 1996-01-02 US disclosed
EP-0570091-A1 Anthraquinone derivatives, process for their preparation and their use as medicaments LILLY INDUSTRIES LIMITED (GB) 1993-11-18 EP disclosed