SCHEMBL5147264

SCHEMBL5147264

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

nearest known ligand 0.33

Predicted protein targets (top 9)

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 0.31

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
SCHEMBL6885636 0.91 USP2 (0.35) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5147427 0.91 USP2 (0.35) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5148275 0.90 CYP1A2 (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4756188 0.88 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5147250 0.88 SMN1; SMN2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5145781 0.86 USP2 (0.32) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5148280 0.85 USP2 (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5316665 0.85 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5145725 0.83
SCHEMBL1077115 0.82 USP2 (0.31) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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