SCHEMBL5316665

SCHEMBL5316665

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

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
SCHEMBL3819378 0.90 CYP1A2 (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1077115 0.90 USP2 (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5313513 0.90 USP2 (0.34) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3814155 0.88 LMNA (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3811602 0.86 USP2 (0.32) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4756188 0.86 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5147264 0.85 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4696416 0.82 PPARA (0.30)
SCHEMBL4755074 0.81 ALDH1A1 (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3814843 0.81 USP2 (0.36) 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 1 patent. 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