SCHEMBL7022072

SCHEMBL7022072

CCCCOc1cccc(N(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.56
APP P05067 1/20 0.54
TSHR P16473 1/20 0.51
LTA4H P09960 2/20 0.50
PTGES O14684 1/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.46
CACNA1B Q00975 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL10660855 0.95 TSHR (0.58) FAAHAPPTSHRLTA4HMTNR1A
SCHEMBL7028406 0.93 TSHR (0.61) FAAHAPPTSHRLTA4HMTNR1A
SCHEMBL10661484 0.93 TSHR (0.61) FAAHAPPTSHRLTA4HMTNR1A
SCHEMBL9911816 0.91 APP (0.55) FAAHAPPTSHRMTNR1AMTNR1B
SCHEMBL7455570 0.89 APP (0.60) FAAHAPPTSHRMTNR1AMTNR1B
SCHEMBL12589667 0.86 TSHR (0.54) FAAHAPPTSHRMTNR1AMTNR1B
SCHEMBL7239002 0.86 APP (0.54) FAAHAPPMTNR1AMTNR1BKMT2A
SCHEMBL11243339 0.84 TSHR (0.50) TSHRLTA4HTLR4TLR2CYP1A2
SCHEMBL5957100 0.84 MTNR1A (0.53) FAAHAPPMTNR1AMTNR1B
SCHEMBL21028983 0.84 LTA4H (0.58) TSHRLTA4HMTNR1AMTNR1BTLR4

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