SCHEMBL9940095

SCHEMBL9940095

C=CCN1C=CN(CCCCCCCCCC)C1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
MGLL Q99685 2/20 0.31
FAAH O00519 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL20375332 0.93 TSHR (0.32) TSHRALDH1A1
SCHEMBL5814212 0.85 EBP (0.41) TSHREBPSIGMAR1PTGS1PTGS2
SCHEMBL5305273 0.85 EBP (0.41) TSHREBPSIGMAR1PTGS1PTGS2
SCHEMBL5300491 0.85 EBP (0.41) TSHREBPSIGMAR1PTGS1PTGS2
SCHEMBL5817860 0.85 EBP (0.41) TSHREBPSIGMAR1PTGS1PTGS2
SCHEMBL5298403 0.85 EBP (0.41) TSHREBPSIGMAR1PTGS1PTGS2
SCHEMBL5298828 0.85 EBP (0.41) TSHREBPSIGMAR1PTGS1PTGS2
SCHEMBL5303442 0.85 EBP (0.41) TSHREBPSIGMAR1PTGS1PTGS2
SCHEMBL5295849 0.85 EBP (0.41) TSHREBPSIGMAR1PTGS1PTGS2
SCHEMBL5816733 0.85 EBP (0.41) TSHREBPSIGMAR1PTGS1PTGS2

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-20120157579-A1 Azolium Ionomer Derivatives of Halogenated Polymers QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-21 US claimed
US-20120157579-A1 Azolium Ionomer Derivatives of Halogenated Polymers QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-06-21 US disclosed