SCHEMBL10702811

SCHEMBL10702811

CCCCCCCCCCC(C)(C)I

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
GGPS1 O95749 6/20 0.46
FDPS P14324 9/20 0.39
SMPD1 P17405 2/20 0.38
CES2 O00748 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 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
SCHEMBL18214509 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSSMPD1
Hydrogen Sulfide SCHEMBL11010306 0.97 GGPS1 (0.44) TSHRTHRBGGPS1FDPS
SCHEMBL11687981 0.97 GGPS1 (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL15613358 0.97
SCHEMBL13767876 0.88
SCHEMBL10704293 0.80 GGPS1 (0.44) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL16970194 0.79 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL16970061 0.79 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL16969681 0.79 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1
SCHEMBL16970324 0.79 TSHR (0.50) TSHRTHRBGGPS1FDPSSMPD1

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-0252736-A2 Process for preparing fluorine-containing carboxylic acid ester SAGAMI CHEMICAL RESEARCH CENTER (JP) 1988-01-13 EP disclosed