SCHEMBL8994524

SCHEMBL8994524

C=CCOS(=O)(=O)OC(CCCCCCCC)CCCCCCCC.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
PLA2G2C Q5R387 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
CA9 Q16790 7/20 0.33
CA12 O43570 3/20 0.33
CA7 P43166 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL8918640 0.92 TSHR (0.34) TSHRADH1BADH1CADH1AADH4
SCHEMBL11367730 0.85 TP53 (0.35) TSHRPLA2G2CTP53
SCHEMBL28130426 0.79 TP53 (0.42) ZDHHC7CA1CA2CA9CA12
SCHEMBL7062487 0.79 TP53 (0.42) ZDHHC7CA1CA2CA9CA12
SCHEMBL7987581 0.79 TP53 (0.42) ZDHHC7CA1CA2CA9CA12
SCHEMBL1655277 0.79 TP53 (0.42) ZDHHC7CA1CA2CA9CA12
SCHEMBL13276078 0.79 TP53 (0.42) ZDHHC7CA1CA2CA9CA12
SCHEMBL30812749 0.78 CA1 (0.50) TSHRPLA2G2CZDHHC7CA1CA2
Ammonia Solution, Strong SCHEMBL28796915 0.78 TP53 (0.40) TSHRADH1BADH1CADH1AADH4
SCHEMBL23532248 0.77 DNM1 (0.41) CA1CA2CA9CA12CA7

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
EP-0725620-A1 NON-SWEATING LIPSTICKS THE PROCTER & GAMBLE COMPANY (US) 1996-08-14 EP disclosed
WO-1995011000-A1 NON-SWEATING LIPSTICKS THE PROCTER & GAMBLE COMPANY (US) 1995-04-27 WO disclosed