SCHEMBL6969266

SCHEMBL6969266

CCCC[CH]OC(=O)SC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
ATM Q13315 1/20 0.33
FAAH O00519 1/20 0.32
HPGD P15428 1/20 0.31
EP300 Q09472 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
TERT O14746 2/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL6965956 0.94 EP300 (0.38) TSHRF7F3ATMFAAH
SCHEMBL6965319 0.87
SCHEMBL6958275 0.78
SCHEMBL128295 0.76
SCHEMBL4552841 0.74
SCHEMBL129603 0.74 NAAA (0.43) TSHRF7F3ATMFAAH
SCHEMBL7293172 0.72 CES1 (0.42) TSHRF7F3FAAHHPGD
SCHEMBL450031 0.72 CA1 (0.39) TSHRF7F3ATMFAAH
SCHEMBL133540 0.72 ALDH1A1 (0.46) TSHRF7F3ATMFAAH
SCHEMBL6971147 0.72 PTGS2 (0.37) TSHRALDH1A1CES2CES1LMNA

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed