SCHEMBL9936985

SCHEMBL9936985

CCSCCCCC(=O)C(=O)O.CSCCCCC(=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FOLH1 Q04609 1/20 0.36
CES2 O00748 6/20 0.35
CES1 P23141 5/20 0.35
HAO1 Q9UJM8 1/20 0.35
MAPK1 P28482 1/20 0.32
SLC13A3 Q8WWT9 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
OR51E2 Q9H255 1/20 0.32
BHMT Q93088 2/20 0.32
AKR1B1 P15121 1/20 0.30

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
SCHEMBL722984 0.92 TSHR (0.59) TSHRGMNNTP53POLBMAPT
SCHEMBL723055 0.88 FOLH1 (0.42) TSHRFOLH1CES2CES1HAO1
SCHEMBL722430 0.86 TSHR (0.68) TSHRGMNNTP53POLBMAPT
SCHEMBL20855304 0.86 FOLH1 (0.41) TSHRHSD17B10FOLH1CES2CES1
SCHEMBL31429799 0.86 FOLH1 (0.41) TSHRHSD17B10FOLH1CES2CES1
SCHEMBL6300371 0.86 FOLH1 (0.41) TSHRHSD17B10FOLH1CES2CES1
SCHEMBL9936987 0.82 TSHR (0.44) TSHRGMNNTP53POLBMAPT
SCHEMBL720525 0.82 FOLH1 (0.44) TSHRFOLH1CES2CES1HAO1
SCHEMBL2452970 0.79 CES2 (0.44) TSHRGMNNTP53POLBMAPT
SCHEMBL722524 0.78 TSHR (0.54) TSHRGMNNTP53POLBMAPT

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
WO-2012081712-A1 PROCESS FOR THE PREPARATION OF HYDROXYCARBOXYLIC ACID COMPOUND OR SALT THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-21 WO disclosed