SCHEMBL6034341

SCHEMBL6034341

CCOC(=O)C1=CN(C(=O)OC(C)C)C2=CCSC2=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 3/20 0.31
CYP3A4 P08684 3/20 0.31
LMNA P02545 2/20 0.31
MAOA P21397 1/20 0.31
FDFT1 P37268 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 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
SCHEMBL6289940 0.64 ALDH1A1 (0.34) TSHRALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL6034342 0.62 TSHR (0.42) TSHRALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL15124256 0.60 CA1 (0.63) ALDH1A1SMN1; SMN2MAPTHPGDGAA
SCHEMBL12283671 0.58 ALDH1A1 (0.56) TSHRALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL9494419 0.58 TSHR (0.75) TSHRALDH1A1SMN1; SMN2MAPK1HPGD
SCHEMBL19204661 0.57 CA12 (0.58) TSHRALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL28668738 0.57 HDAC4 (0.59) TSHRALDH1A1POLBMAPTGAA
SCHEMBL862728 0.56 ADORA3 (0.46) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL11438318 0.56 TSHR (0.38) TSHRALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL9626894 0.55 TSHR (0.48) TSHRALDH1A1SMN1; SMN2MAPK1MAPT

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-1735320-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
WO-2005097806-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-10-20 WO disclosed