SCHEMBL12188552

SCHEMBL12188552

CCCCCCC(O)CCCCCCCCCCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)CCCCCCCCCCC(O)CCCCCC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.56
CNR1 P21554 4/20 0.56
CNR2 P34972 4/20 0.56
FAAH O00519 3/20 0.55
FFAR4 Q5NUL3 1/20 0.53
FFAR1 O14842 1/20 0.53
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CCR2 P41597 1/20 0.48
GNAI3 P08754 1/20 0.48
GNAO1 P09471 1/20 0.48
GNAI1 P63096 1/20 0.48
GPR84 Q9NQS5 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 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
SCHEMBL13701269 1.00 TRPV1 (0.56) TRPV1CNR1CNR2FAAHFFAR4
SCHEMBL12217799 0.91 TRPV1 (0.51) TRPV1CNR1CNR2FAAHFFAR4
SCHEMBL12660160 0.91 TRPV1 (0.51) TRPV1CNR1CNR2FAAHFFAR4
SCHEMBL12188590 0.91 TRPV1 (0.51) TRPV1CNR1CNR2FAAHFFAR4
SCHEMBL12786247 0.91 TRPV1 (0.51) TRPV1CNR1CNR2FAAHFFAR4
SCHEMBL12216417 0.91 TRPV1 (0.51) TRPV1CNR1CNR2FAAHFFAR4
SCHEMBL12590986 0.91 TRPV1 (0.50) TRPV1CNR1CNR2FAAHFFAR4
SCHEMBL19963564 0.89 TRPV1 (0.69) TRPV1CNR1CNR2FAAHKMT2A
SCHEMBL13870526 0.89 TRPV1 (0.69) TRPV1CNR1CNR2FAAHKMT2A
SCHEMBL247278 0.89 TRPV1 (0.69) TRPV1CNR1CNR2FAAHKMT2A

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
US-8328923-B2 Compounds suitable for use in inks and inks having such compounds XEROX CORPORATION (US) 2012-12-11 US disclosed
US-20120227622-A1 PHASE CHANGE INKS XEROX CORPORATION (US) 2012-09-13 US disclosed
US-8029610-B2 Compounds suitable for use in inks and inks having such compounds XEROX CORPORATION (US) 2011-10-04 US disclosed
US-7967902-B2 Compounds suitable for use in inks and inks having such compounds XEROX CORPORATION (US) 2011-06-28 US disclosed