SCHEMBL28140657

SCHEMBL28140657

CCCC[CH]COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CETP P11597 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
ALOX5 P09917 1/20 0.39
IDO1 P14902 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
TK1 P04183 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
SCHEMBL27731616 0.84 TSHR (0.47) TSHRCETPTDP1L3MBTL1ALDH1A1
SCHEMBL11422538 0.84 TSHR (0.50) TSHRTDP1L3MBTL1ALOX5IDO1
SCHEMBL4079622 0.81 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL6941005 0.80 TSHR (0.67) TSHRALDH1A1ALOX5IDO1
SCHEMBL11895906 0.79 EPHX2 (0.47) TSHRCETPALOX5TK1
SCHEMBL11895904 0.79 EPHX2 (0.47) TSHRCETPALOX5TK1
Pentane SCHEMBL27693441 0.78 TSHR (0.71) TSHRCETPTDP1L3MBTL1ALDH1A1
SCHEMBL9545871 0.78 EPHX2 (0.49) TSHRCETP
SCHEMBL29113319 0.78 L3MBTL1 (0.50) TSHRCETPTDP1L3MBTL1
SCHEMBL27673076 0.78 L3MBTL1 (0.47) TSHRCETPTDP1L3MBTL1ALDH1A1

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-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed