SCHEMBL5319912

SCHEMBL5319912

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
CACNA2D1 P54289 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 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
SCHEMBL3815717 0.87 USP2 (0.38) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4755062 0.86 USP2 (0.37) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3814843 0.84 USP2 (0.36) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4756226 0.82 USP2 (0.34) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4754994 0.82 ALDH1A1 (0.34) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4699779 0.82 PRKCA (0.30)
SCHEMBL4754466 0.81 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1076766 0.80 USP2 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5145781 0.79 USP2 (0.32) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3811602 0.79 USP2 (0.32) 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
WO-2007027477-A2 TREATING VULVODYNIA USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2007-03-08 WO claimed
EP-1677812-A2 TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS Xenoport, Inc. (US) 2006-07-12 EP disclosed
WO-2005027850-A2 TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS XENOPORT, INC. (US) 2005-03-31 WO disclosed