SCHEMBL11114817

SCHEMBL11114817

CCCCCCCC[C@H]1CCC[C@@H]1CCSCCCC=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
FAAH O00519 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
TBXA2R P21731 1/20 0.34
EPHX1 P07099 2/20 0.34
GBA1 P04062 2/20 0.33
ALOX5 P09917 1/20 0.33
GBA3 Q9H227 1/20 0.33
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 1/20 0.33
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
CES2 O00748 1/20 0.30
GMNN O75496 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
SCHEMBL11115818 0.87 TSHR (0.32) TSHRMAPT
SCHEMBL679389 0.86 TSHR (0.59) TSHRFAAHTRPV1EPHX1ALOX5
SCHEMBL11114883 0.79 TSHR (0.35) TSHRFAAHTRPV1ALOX5
SCHEMBL13396442 0.76 TSHR (0.50) TSHRFAAHTRPV1CYP1A2ALDH1A1
SCHEMBL20589931 0.75 TSHR (0.61) TSHRFAAHTRPV1EPHX1ALDH1A1
SCHEMBL29385123 0.75 EPHX1 (0.48) TSHREPHX1GBA1ALOX5CYP1A2
SCHEMBL28380195 0.75 EPHX1 (0.48) TSHREPHX1GBA1ALOX5CYP1A2
SCHEMBL29559353 0.75 EPHX1 (0.48) TSHREPHX1GBA1ALOX5CYP1A2
SCHEMBL28249807 0.75 EPHX1 (0.48) TSHREPHX1GBA1ALOX5CYP1A2
SCHEMBL11120561 0.74 TSHR (0.41) TSHRFAAHTRPV1EPHX1ALOX5

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-0112633-A2 Novel 5-thiaprostaglandin, process for production thereof, and pharmaceutical use thereof TEIJIN LIMITED (JP) 1984-07-04 EP claimed
EP-0112633-A2 Novel 5-thiaprostaglandin, process for production thereof, and pharmaceutical use thereof TEIJIN LIMITED (JP) 1984-07-04 EP disclosed