SCHEMBL1462300

SCHEMBL1462300

C=CCOCC=C.CCCCCCCCCCCCC(CC(=O)O)(C(=O)O)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
BLM P54132 2/20 0.33
HSPD1 P10809 1/20 0.33
HSPE1 P61604 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
FFAR1 O14842 2/20 0.32
CPT2 P23786 1/20 0.32
HSD17B10 Q99714 2/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 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
SCHEMBL2418933 0.86 TDP1 (0.41) TSHRBLMHSPD1HSPE1TDP1
SCHEMBL1840384 0.86 TDP1 (0.41) TSHRBLMHSPD1HSPE1TDP1
SCHEMBL9836853 0.86 TDP1 (0.41) TSHRBLMHSPD1HSPE1TDP1
SCHEMBL749698 0.86 TDP1 (0.41) TSHRBLMHSPD1HSPE1TDP1
SCHEMBL208623 0.86 TDP1 (0.41) TSHRBLMHSPD1HSPE1TDP1
SCHEMBL9645095 0.86 TDP1 (0.41) TSHRBLMHSPD1HSPE1TDP1
SCHEMBL573838 0.86 TDP1 (0.41) TSHRBLMHSPD1HSPE1TDP1
Tridecane SCHEMBL11754456 0.86 TDP1 (0.41) TSHRBLMHSPD1HSPE1TDP1
SCHEMBL2314036 0.86 TDP1 (0.41) TSHRBLMHSPD1HSPE1TDP1
SCHEMBL27746086 0.86 TDP1 (0.41) TSHRBLMHSPD1HSPE1TDP1

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
US-20110071334-A1 FOAMING DECONTAMINATING AQUEOUS SOLUTION COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-24 US disclosed