SCHEMBL4754466

SCHEMBL4754466

CC(OC(=O)C(N)C1(CC(=O)O)CCCCC1)OC(=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.32
PRKCA P17252 1/20 0.31

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
SCHEMBL1563267 0.89 USP2 (0.37) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3398321 0.89 USP2 (0.37) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5145781 0.87 USP2 (0.32) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3182386 0.86 SMN1; SMN2 (0.35) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3811602 0.85 USP2 (0.32) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4756188 0.84 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3813118 0.83 USP2 (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4757195 0.82 CYP1A2 (0.32) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1047482 0.82 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5319912 0.81 USP2 (0.35) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007027477-A2 TREATING VULVODYNIA USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2007-03-08 WO claimed
WO-2008157408-A2 USE OF PRODRUGS OF GABA ANALOGS, ANTISPASTICITY AGENTS, AND PRODRUGS OF GABA B RECEPTOR AGONISTS FOR TREATING SPASTICITY XENOPORT, INC. (US) 2008-12-24 WO disclosed
EP-1569895-A4 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2007-07-11 EP disclosed
EP-1569895-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF Xenoport, Inc. (US) 2005-09-07 EP disclosed
WO-2004052844-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 WO disclosed