SCHEMBL3258249

SCHEMBL3258249

CCC(C)(CC)OOC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.34
TSHR P16473 4/20 0.33
TDP1 Q9NUW8 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL217180 0.80 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10GAATSHR
SCHEMBL27338320 0.78 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL8740167 0.76 HCAR2 (0.35) TSHR
SCHEMBL8740170 0.76 HCAR2 (0.35) TSHR
SCHEMBL4450445 0.76 TSHR (0.36) ALDH1A1LMNAHSD17B10GAATSHR
SCHEMBL27338272 0.76 CYP1A2 (0.32) TSHRCYP1A2CYP2D6CYP2C19
Trimethylammonium SCHEMBL27614440 0.75 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10GAATSHR
SCHEMBL583100 0.75 TSHR (0.30) TSHR
SCHEMBL1584536 0.74 GAA (0.48) ALDH1A1LMNAHSD17B10GAATSHR
SCHEMBL9639669 0.73 TSHR (0.43) ALDH1A1LMNAHSD17B10GAATSHR

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-1940840-B1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-21 EP disclosed
EP-1940840-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP disclosed
WO-2007045758-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-04-26 WO disclosed