SCHEMBL7028406

SCHEMBL7028406

CCCCCCCCOc1cccc(N(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
SMPD1 P17405 3/20 0.51
APP P05067 1/20 0.51
FAAH O00519 1/20 0.51
MTNR1A P48039 5/20 0.50
MTNR1B P49286 5/20 0.50
PLA2G4B P0C869 2/20 0.49
LTA4H P09960 1/20 0.49
CYP2D6 P10635 1/20 0.48

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
SCHEMBL10661484 1.00 TSHR (0.61) TSHRTHRATHRBSMPD1APP
SCHEMBL10660855 0.98 TSHR (0.58) TSHRTHRATHRBSMPD1APP
SCHEMBL7022072 0.93 FAAH (0.56) TSHRAPPFAAHMTNR1AMTNR1B
SCHEMBL12589667 0.93 TSHR (0.54) TSHRTHRATHRBSMPD1APP
SCHEMBL9911816 0.88 APP (0.55) TSHRAPPFAAHMTNR1AMTNR1B
SCHEMBL28203174 0.87 TSHR (0.62) TSHRTHRATHRBSMPD1MTNR1A
SCHEMBL7455570 0.86 APP (0.60) TSHRAPPFAAHMTNR1AMTNR1B
SCHEMBL10663047 0.85 TSHR (0.59) TSHRTHRATHRBSMPD1MTNR1A
SCHEMBL7460286 0.85 TSHR (0.59) TSHRTHRATHRBSMPD1MTNR1A
SCHEMBL11435096 0.85 APP (0.54) TSHRAPPMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604363-B1 Stable solutions of accelerators for epoxy resins VANTICO AG (CH) 2003-02-12 EP claimed