SCHEMBL27770565

SCHEMBL27770565

CCC(=O)OC(=O)c1ccccc1CC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
ALDH1A1 P00352 6/20 0.45
LMNA P02545 2/20 0.45
UTS2R Q9UKP6 1/20 0.45
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CLCN2 P51788 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
ELANE P08246 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL28537035 0.91 TSHR (0.43) TSHRALDH1A1LMNAUTS2RSCN1A
SCHEMBL739158 0.90 TSHR (0.52) TSHRALDH1A1LMNAUTS2RSCN1A
SCHEMBL28552008 0.89 KDM4E (0.49) TSHRALDH1A1LMNAUTS2RTDP1
SCHEMBL7766866 0.88 TSHR (0.59) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL27487088 0.87 TSHR (0.43) TSHRALDH1A1LMNAUTS2RSCN1A
SCHEMBL537039 0.85 ALDH1A1 (0.49) TSHRALDH1A1LMNAUTS2RSCN1A
SCHEMBL20481943 0.83 ALDH1A1 (0.47) TSHRALDH1A1LMNAUTS2RSCN1A
SCHEMBL20482006 0.83 ALDH1A1 (0.47) TSHRALDH1A1LMNAUTS2RSCN1A
SCHEMBL20478154 0.83 ALDH1A1 (0.47) TSHRALDH1A1LMNAUTS2RSCN1A
SCHEMBL27682970 0.83 TSHR (0.46) TSHRALDH1A1LMNAUTS2RSCN1A

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
CN-101501078-A Process for preparing a catalyst component for the polymerization of olefins BASELL POLIOLEFINE SRL (IT) 2009-08-05 CN disclosed