SCHEMBL28811806

SCHEMBL28811806

CCCCC/C=C\CCCN1CCCC1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.53
MGLL Q99685 3/20 0.53
PIK3CD O00329 1/20 0.42
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.40
ALOX5 P09917 2/20 0.40
ADRA1B P35368 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL2724535 0.95 FAAH (0.55) FAAHMGLLPIK3CDALOX5ADRA1B
SCHEMBL2724539 0.95 FAAH (0.55) FAAHMGLLPIK3CDALOX5ADRA1B
SCHEMBL3991244 0.91 MGLL (0.62) FAAHMGLLALOX5ADRA1BTRPV1
SCHEMBL1903323 0.89 MGLL (0.52) FAAHMGLLALOX5
SCHEMBL1903326 0.89 MGLL (0.52) FAAHMGLLALOX5
SCHEMBL10513 0.88 PIK3CD (0.52) PIK3CDKMT2ARAB9AADRA1BSMN1; SMN2
Ammonia Solution, Strong SCHEMBL28542846 0.86 PIK3CD (0.50) PIK3CDKMT2ARAB9AADRA1BSMN1; SMN2
SCHEMBL161958 0.86 ALOX5 (0.50) FAAHMGLLPIK3CDKMT2ARAB9A
SCHEMBL430004 0.84 ALOX5 (0.53) FAAHMGLLPIK3CDKMT2ARAB9A
SCHEMBL705126 0.84 ALOX5 (0.53) FAAHMGLLPIK3CDKMT2ARAB9A

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
CN-110642737-B Preparation method of amide-substituted (E, E) -configuration branched conjugated diene derivative 杭州师范大学 2022-08-05 CN disclosed