SCHEMBL21409889

SCHEMBL21409889

CCCCCCCC/C=C\[C@H]1CCC(=O)O1.CCCCCCCC/C=C\[C@H]1CCC(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
PRKCA P17252 6/20 0.39
FAAH O00519 3/20 0.38
MGLL Q99685 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
PPARG P37231 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL592977 1.00 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRPRKCAFAAH
SCHEMBL142179 1.00 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRPRKCAFAAH
SCHEMBL5079304 1.00 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRPRKCAFAAH
SCHEMBL5148270 1.00 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRPRKCAFAAH
SCHEMBL11551895 1.00 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRPRKCAFAAH
SCHEMBL2597366 1.00 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRPRKCAFAAH
SCHEMBL4444802 1.00 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRPRKCAFAAH
SCHEMBL142178 1.00 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRPRKCAFAAH
SCHEMBL5148278 1.00 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRPRKCAFAAH
SCHEMBL11551888 1.00 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRPRKCAFAAH

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
CN-111566108-B Heterocyclic compound and harmful arthropod control agent containing same 住友化学株式会社 2023-03-28 CN disclosed
CN-115772120-A Heterocyclic compound and noxious arthropod control agent containing same 住友化学株式会社 2023-03-10 CN disclosed
CN-111712497-B Heterocyclic compound and noxious arthropod control agent containing same 住友化学株式会社 2022-10-18 CN disclosed
WO-2019189731-A1 HETEROCYCLIC COMPOUND AND ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME 住友化学株式会社 2019-10-03 WO disclosed