SCHEMBL6970683

SCHEMBL6970683

CCCCCCSC([O])=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.43
THRB P10828 2/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACHE P22303 3/20 0.41
EPHX1 P07099 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CES1 P23141 7/20 0.38
FAAH O00519 4/20 0.38
PLA2G6 O60733 1/20 0.38
TSHR P16473 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 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
SCHEMBL6960144 0.98
SCHEMBL6960355 0.90
SCHEMBL11441821 0.80 THRB (0.42) CES2THRBGMNNTP53POLB
SCHEMBL35803 0.80 THRB (0.42) CES2THRBGMNNTP53POLB
SCHEMBL35363 0.80 THRB (0.42) CES2THRBGMNNTP53POLB
SCHEMBL11289157 0.80 THRB (0.42) CES2THRBGMNNTP53POLB
SCHEMBL35565 0.80 THRB (0.42) CES2THRBGMNNTP53POLB
SCHEMBL10571256 0.80 THRB (0.42) CES2THRBGMNNTP53POLB
SCHEMBL11170048 0.80 THRB (0.42) CES2THRBGMNNTP53POLB
SCHEMBL6965955 0.79

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