SCHEMBL628982

SCHEMBL628982

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
FFAR1 O14842 1/20 0.43
CPT2 P23786 1/20 0.43
EPHX1 P07099 1/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
BHMT Q93088 3/20 0.34
EGLN1 Q9GZT9 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL3049060 0.84 MEN1 (0.50) TDP1KDM4EFFAR1CPT2EPHX1
SCHEMBL18125947 0.80 KDM4E (0.48) TDP1KDM4EFFAR1CPT2HMGCR
SCHEMBL3120041 0.79 EPHX1 (0.36) EPHX1SMN1; SMN2HSD17B10
SCHEMBL19680500 0.78 KDM4E (0.46) TDP1KDM4EFFAR1CPT2HMGCR
SCHEMBL1534985 0.77 ACHE (0.53) EPHX1
SCHEMBL13037023 0.77 KDM4E (0.40) KDM4EEPHX1CYP2D6TSHRSMN1; SMN2
SCHEMBL24746515 0.76 MEN1 (0.46) TDP1KDM4EFFAR1CPT2EPHX1
SCHEMBL4730960 0.75 EPHX1 (0.41) TDP1EPHX1TSHRGAAMEN1
SCHEMBL6091134 0.73 KDM4E (0.52) TDP1KDM4EFFAR1CPT2HMGCR
SCHEMBL744278 0.73 NPC1 (0.42) TDP1KDM4EFFAR1CPT2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 EP disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 WO disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed