SCHEMBL15375249

SCHEMBL15375249

C=CC(CCCCCC)NC(C=C)CCCCCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
LMNA P02545 1/20 0.38
FAAH O00519 1/20 0.37
DNM1 Q05193 2/20 0.37
THRB P10828 1/20 0.36
OPRM1 P35372 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FDPS P14324 3/20 0.34
SPHK1 Q9NYA1 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL18570868 0.86 ADH1B (0.43) TSHRADH1BADH1CADH1AADH4
SCHEMBL19120660 0.84 ADH1B (0.39) TSHRADH1BADH1CADH1AADH4
SCHEMBL8775560 0.84 ADH1B (0.39) TSHRADH1BADH1CADH1AADH4
SCHEMBL8878897 0.80 OPRM1 (0.39) TSHRADH1BADH1CADH1AADH4
SCHEMBL9418815 0.79 ADH1B (0.58) TSHRADH1BADH1CADH1AADH4
SCHEMBL2363325 0.77 ADH1B (0.55) TSHRADH1BADH1CADH1AADH4
SCHEMBL18522360 0.77 ADH1B (0.38) TSHRADH1BADH1CADH1AADH4
SCHEMBL4612120 0.77 GPR84 (0.44) FAAHZDHHC20ZDHHC2GPR84FFAR1
SCHEMBL175259 0.75 ADH1B (0.36) TSHRADH1BADH1CADH1AADH4
SCHEMBL9941394 0.75 TSHR (0.38) TSHRADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847242-B1 CARBINOL-TERMINATED POLYMERS CONTAINING ALLYLAMINE ARLANXEO DEUTSCHLAND GMBH (DE) 2019-07-10 EP disclosed
EP-2847242-A1 CARBINOL-TERMINATED POLYMERS CONTAINING ALLYLAMINE LANXESS Deutschland GmbH (DE) 2015-03-18 EP disclosed
WO-2013167410-A1 CARBINOL-TERMINATED POLYMERS CONTAINING ALLYLAMINE LANXESS DEUTSCHLAND GMBH (DE) 2013-11-14 WO disclosed
EP-2662392-A1 Carbinol-terminated polymers containing allylamine LANXESS Deutschland GmbH (DE) 2013-11-13 EP disclosed