SCHEMBL9407677

SCHEMBL9407677

[CH2]CCCC(C=O)CCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ADH1B P00325 2/20 0.42
ADH1C P00326 2/20 0.42
ADH1A P07327 2/20 0.42
ADH4 P08319 2/20 0.42
ADH7 P40394 2/20 0.42
MAPT P10636 2/20 0.37
TRPA1 O75762 1/20 0.37
DDAH1 O94760 1/20 0.37
GAPDH P04406 1/20 0.37
GPR84 Q9NQS5 3/20 0.36
FDPS P14324 3/20 0.36
FFAR1 O14842 1/20 0.36
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35

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
SCHEMBL1837807 0.96 TSHR (0.54) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL1833640 0.96 TSHR (0.54) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL1948724 0.96 TSHR (0.54) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL1840697 0.96 TSHR (0.54) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL1952368 0.94 TSHR (0.52) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL23851480 0.89 TSHR (0.65) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL17062948 0.89 TSHR (0.65) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL9395677 0.89 TSHR (0.65) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL9395696 0.89 TSHR (0.65) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL21694562 0.89 TSHR (0.65) TSHRSMN1; SMN2ADH1BADH1CADH1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314633-A Reaction product of a phosphite ester, thioalkanol and heterodialkanol EXXON CHEMICAL PATENTS INC. (US) 1994-05-24 US disclosed
US-5185090-A Oil additives; reacting betahydroxy thioethers and phosphite esters; antiwear, antioxidants EXXON CHEMICAL PATENTS INC. (US) 1993-02-09 US disclosed