SCHEMBL28107295

SCHEMBL28107295

C=C(CCCCCCCCC)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
EPHX2 P34913 1/20 0.49
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
HPSE Q9Y251 1/20 0.44

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
SCHEMBL18983189 1.00 CETP (0.51) CETPMEN1KMT2AALDH1A1CYP3A4
SCHEMBL28107311 1.00 CETP (0.51) CETPMEN1KMT2AALDH1A1CYP3A4
SCHEMBL20227373 0.94 ALDH1A1 (0.52) CETPMEN1KMT2AALDH1A1CYP3A4
SCHEMBL28193708 0.88 MEN1 (0.47) CETPMEN1KMT2AALDH1A1CYP3A4
SCHEMBL601114 0.88 ALDH1A1 (0.53) CETPKMT2AALDH1A1CYP3A4TSHR
SCHEMBL16464762 0.85 CES2 (0.55) CETPMEN1KMT2AALDH1A1CYP3A4
SCHEMBL7633315 0.85 CES2 (0.55) CETPMEN1KMT2AALDH1A1CYP3A4
SCHEMBL2390214 0.85 CES2 (0.55) CETPMEN1KMT2AALDH1A1CYP3A4
SCHEMBL7635324 0.85 CES2 (0.55) CETPMEN1KMT2AALDH1A1CYP3A4
SCHEMBL16464761 0.85 CES2 (0.55) CETPMEN1KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106119443-B The grease proofing antifouling care agent of aerosol type surface waterproofing 崔晓雪 2018-08-21 CN disclosed
CN-106119443-A The grease proofing antifouling nursing agent of aerosol type surface waterproofing 崔晓雪 2016-11-16 CN disclosed