SCHEMBL327358

SCHEMBL327358

CC(C)(C)OC(=O)CCN1CCSCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
PREP P48147 2/20 0.33
EPHX2 P34913 1/20 0.33
TP53 P04637 1/20 0.33
CNR1 P21554 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
CTSK P43235 1/20 0.32
USP2 O75604 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
STING1 Q86WV6 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
SCHEMBL27055108 0.87 PAOX (0.41) ARG1ARG2ALDH1A1EPHX2MAPT
SCHEMBL12014400 0.84 ALDH1A1 (0.48) SMN1; SMN2LMNAHSD17B10ALDH1A1TSHR
SCHEMBL1128504 0.82 TP53 (0.48) SMN1; SMN2KDM4ELMNAALDH1A1TSHR
SCHEMBL12936833 0.82 PLA2G10 (0.37) SMN1; SMN2KDM4ELMNAALDH1A1PREP
SCHEMBL12014399 0.82 ALDH1A1 (0.52) SMN1; SMN2LMNAHSD17B10ALDH1A1TSHR
SCHEMBL66203 0.80 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ELMNAHSD17B10ALDH1A1
SCHEMBL6600492 0.79 MEN1 (0.41) SMN1; SMN2LMNAHSD17B10ALDH1A1TSHR
SCHEMBL18729437 0.79 MEN1 (0.41) SMN1; SMN2LMNAHSD17B10ALDH1A1TSHR
SCHEMBL17025689 0.79 SMN1; SMN2 (0.37) SMN1; SMN2KDM4EALDH1A1TSHRTP53
SCHEMBL1127834 0.79 SMN1; SMN2 (0.57) SMN1; SMN2LMNAALDH1A1MAPTUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590954-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
WO-2012004375-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed