SCHEMBL28512100

SCHEMBL28512100

CCCC=CCCC/C=C/C=CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
FASN P49327 1/20 0.39
TRPV1 Q8NER1 2/20 0.34
PPARA Q07869 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL5138654 1.00 FAAH (0.41) FAAHCNR1CNR2ALDH1A1TSHR
SCHEMBL28671413 0.93 FASN (0.47) FAAHALDH1A1TSHRFASNTRPV1
SCHEMBL12074100 0.90
SCHEMBL1243950 0.90
SCHEMBL1243953 0.90
SCHEMBL31067751 0.87 ALDH1A1 (0.39) FAAHCNR1CNR2ALDH1A1TSHR
SCHEMBL29285264 0.87 ALDH1A1 (0.39) FAAHCNR1CNR2ALDH1A1TSHR
SCHEMBL130025 0.85
SCHEMBL28779460 0.85
SCHEMBL130026 0.85

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
CN-112400916-A Termite trapping agent and preparation method and application thereof 湖南科力除虫药械有限公司 2021-02-26 CN claimed
CN-112400916-A Termite trapping agent and preparation method and application thereof 湖南科力除虫药械有限公司 2021-02-26 CN disclosed
CN-112400916-A Termite trapping agent and preparation method and application thereof 湖南科力除虫药械有限公司 2021-02-26 CN disclosed