SCHEMBL7081815

SCHEMBL7081815

CCCCCCCCC(N)CNCCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.46
PLA2G2A P14555 1/20 0.46
SPHK1 Q9NYA1 1/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
RRM1 P23921 1/20 0.42
S1PR2 O95136 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR4 O95977 4/20 0.42
OPRM1 P35372 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DNM1 Q05193 3/20 0.41

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
SCHEMBL10998568 1.00 PLA2G1B (0.46) PLA2G1BPLA2G2ASPHK1GNAI3GNAO1
SCHEMBL10974610 1.00 PLA2G1B (0.46) PLA2G1BPLA2G2ASPHK1GNAI3GNAO1
SCHEMBL8435126 0.92 TDP1 (0.43) PLA2G1BPLA2G2AANPEPERAP2RRM1
SCHEMBL7206054 0.91 GNAI3 (0.51) GNAI3GNAO1GNAI1ANPEPERAP2
SCHEMBL7208317 0.91 GNAI3 (0.51) GNAI3GNAO1GNAI1ANPEPERAP2
SCHEMBL11791450 0.90 ANPEP (0.53) PLA2G1BPLA2G2ASPHK1GNAI3GNAO1
SCHEMBL20380825 0.90 PLA2G1B (0.47) PLA2G1BPLA2G2ASPHK1ANPEPERAP2
SCHEMBL11801411 0.90 ANPEP (0.53) PLA2G1BPLA2G2ASPHK1GNAI3GNAO1
SCHEMBL20380826 0.90 PLA2G1B (0.47) PLA2G1BPLA2G2ASPHK1ANPEPERAP2
SCHEMBL10705252 0.90 SLC6A5 (0.43) S1PR2S1PR1S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1295860-A2 Process for the preparation of sorbic acid by thermal decomposition Nutrinova Nutrition Specialties & Food Ingredients GmbH (DE) 2003-03-26 EP claimed
EP-1325902-A1 Process for the preparation of sorbic acid Nutrinova Nutrition Specialties & Food Ingredients GmbH (DE) 2003-07-09 EP disclosed
EP-1295860-A2 Process for the preparation of sorbic acid by thermal decomposition Nutrinova Nutrition Specialties & Food Ingredients GmbH (DE) 2003-03-26 EP disclosed