SCHEMBL5147250

SCHEMBL5147250

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
BLM P54132 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CYP2C19 P33261 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5147427 0.92 USP2 (0.35) SMN1; SMN2TSHRLMNABLMUSP2
SCHEMBL6885636 0.92 USP2 (0.35) SMN1; SMN2TSHRLMNABLMUSP2
SCHEMBL5147264 0.88 USP2 (0.33) SMN1; SMN2TSHRLMNABLMUSP2
SCHEMBL5145781 0.87 USP2 (0.32) SMN1; SMN2TSHRLMNABLMUSP2
SCHEMBL3182386 0.86 SMN1; SMN2 (0.35) SMN1; SMN2TSHRLMNABLMUSP2
SCHEMBL5148275 0.86 CYP1A2 (0.31) SMN1; SMN2TSHRLMNABLMUSP2
SCHEMBL5148280 0.86 USP2 (0.31) SMN1; SMN2TSHRLMNABLMUSP2
SCHEMBL5145725 0.82
SCHEMBL3814155 0.82 LMNA (0.33) SMN1; SMN2TSHRLMNABLMUSP2
SCHEMBL27641459 0.81 APOBEC3A (0.38) TSHRLMNAUSP2ALDH1A1MAPT

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