SCHEMBL28624472

SCHEMBL28624472

CCCCCCCCCCCCCCCCC(c1cc(CCCC)c(O)cc1C)c1cc(CCCC)c(O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
ALOX15 P16050 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TYR P14679 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
CYSLTR2 Q9NS75 2/20 0.38
CYSLTR1 Q9Y271 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL29362864 0.91 TP53 (0.43) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL31457382 0.91 CYP2D6 (0.56) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL3899993 0.91 CYP2D6 (0.56) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL27934852 0.88 TRPV1 (0.40) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL224494 0.84 CYP2D6 (0.51) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL11647946 0.81 ALOX5 (0.50) TP53ALOX15TYRHTTMEN1
SCHEMBL31092269 0.81 TYR (0.41) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL578544 0.81 TYR (0.41) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL9502061 0.79 CYSLTR2 (0.38) TP53ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL28123795 0.79 TRPV1 (0.40) TP53ALOX15CYP2D6CYP2C9CYP2C19

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-113993964-A Pressure-sensitive adhesive composition and surface protective film DIC株式会社 2022-01-28 CN disclosed
CN-113366078-A Adhesive composition and surface protective film DIC株式会社 2021-09-07 CN disclosed