SCHEMBL3631067

SCHEMBL3631067

C=CCCCNCCCCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.65
ALDH1A1 P00352 2/20 0.59
EPHX1 P07099 2/20 0.48
ADH1B P00325 2/20 0.48
ADH1C P00326 2/20 0.48
ADH1A P07327 2/20 0.48
ADH7 P40394 2/20 0.48
ADH4 P08319 1/20 0.48
S1PR2 O95136 5/20 0.44
S1PR4 O95977 5/20 0.44
S1PR1 P21453 5/20 0.44
S1PR3 Q99500 5/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
S1PR5 Q9H228 1/20 0.44
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL22157507 1.00 TSHR (0.65) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL10574954 0.98 TSHR (0.62) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL295266 0.95 TSHR (0.73) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL9214189 0.95 TSHR (0.73) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL31230604 0.95 TSHR (0.73) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL3250615 0.95 TSHR (0.73) TSHRALDH1A1EPHX1ADH1BADH1C
Hydrochloric Acid SCHEMBL22771789 0.95 TSHR (0.59) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL22753257 0.95 TSHR (0.73) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL18625990 0.95 TSHR (0.73) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL11327591 0.95 TSHR (0.73) TSHRALDH1A1EPHX1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257297-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Mimetica Pty Limited (AU) 2010-12-08 EP disclosed
WO-2010096854-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC3 AND/OR MC4 RECEPTORS AND TREATMENT OF CONDITIONS RELATED TO THESE RECEPTORS MIMETICA PTY LTD (AU) 2010-09-02 WO disclosed
WO-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 WO disclosed