SCHEMBL5042569

SCHEMBL5042569

CC(=O)OC1(CN)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
CACNA2D1 P54289 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL197847 0.98 ALDH1A1 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
Hydrochloric Acid SCHEMBL3819339 0.96 ALDH1A1 (0.38) USP2ALDH1A1LMNACYP1A2TSHR
Tetrabuthylammonium SCHEMBL5971657 0.82 SLC22A1 (0.35) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5046792 0.81
SCHEMBL5042658 0.80 ALOX15 (0.33)
SCHEMBL10639736 0.80 NPSR1 (0.36) CYP1A2
SCHEMBL143845 0.80 ALDH1A1 (0.33) ALDH1A1LMNATSHR
SCHEMBL28341481 0.80 USP2 (0.38) USP2ALDH1A1LMNACYP1A2TSHR
Hydrochloric Acid SCHEMBL27486002 0.80
SCHEMBL3400975 0.78 LMNA (0.41) USP2ALDH1A1LMNACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554237-A4 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT INC (US) 2006-11-02 EP claimed
EP-1554237-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS Xenoport, Inc. (US) 2005-07-20 EP claimed
WO-2003104184-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT, INC. (US) 2003-12-18 WO claimed
EP-1608357-A4 TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS XENOPORT INC (US) 2008-03-26 EP disclosed
EP-1569895-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2007-07-11 EP disclosed
EP-1554237-A4 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT INC (US) 2006-11-02 EP disclosed
EP-1677812-A2 TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS Xenoport, Inc. (US) 2006-07-12 EP disclosed
EP-1608357-A2 TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS Xenoport, Inc. (US) 2005-12-28 EP disclosed
EP-1569895-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2005-09-07 EP disclosed
EP-1554237-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS Xenoport, Inc. (US) 2005-07-20 EP disclosed
WO-2005027850-A2 TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2005-03-31 WO disclosed
WO-2004089289-A2 TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2004-10-21 WO disclosed
WO-2004052844-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 WO disclosed
WO-2003104184-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT, INC. (US) 2003-12-18 WO disclosed