SCHEMBL26425959

SCHEMBL26425959

CCC(C)CC(O)COc1ccc2c(OCC(O)CC(C)CC)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.58
NR2E1 Q9Y466 5/20 0.49
CYP1A2 P05177 4/20 0.47
ADRB2 P07550 4/20 0.47
ADRB1 P08588 4/20 0.47
SIGMAR1 Q99720 4/20 0.47
SLC6A4 P31645 3/20 0.47
HTR2B P41595 3/20 0.47
ALDH1A1 P00352 3/20 0.47
ADRB3 P13945 3/20 0.47
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
HTR6 P50406 3/20 0.47
SCN1A P35498 2/20 0.47
SLC10A1 Q14973 2/20 0.47
SCN2A Q99250 2/20 0.47
SCN3A Q9NY46 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTR1A P08908 2/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL27351914 0.90 CYP2D6 (0.49) CYP2D6NR2E1CYP1A2ADRB2ADRB1
SCHEMBL17280576 0.81 CYP2D6 (0.66) CYP2D6NR2E1CYP1A2ADRB2ADRB1
SCHEMBL27352312 0.80 CYP2D6 (0.44) CYP2D6NR2E1CYP1A2ADRB2ADRB1
SCHEMBL23896249 0.80 CYP2D6 (0.57) CYP2D6NR2E1CYP1A2ADRB2ADRB1
SCHEMBL23896255 0.78 CYP2D6 (0.56) CYP2D6NR2E1CYP1A2ADRB2ADRB1
SCHEMBL17280574 0.75 CYP2D6 (0.53) CYP2D6NR2E1CYP1A2ADRB2ADRB1
SCHEMBL27902832 0.74 CYP1A2 (0.55) CYP2D6NR2E1CYP1A2ADRB2ADRB1
SCHEMBL28680554 0.73 CYP2D6 (1.00) CYP2D6NR2E1CYP1A2ADRB2ADRB1
SCHEMBL28680552 0.73 CYP2D6 (1.00) CYP2D6NR2E1CYP1A2ADRB2ADRB1
SCHEMBL26326266 0.73 CYP2D6 (0.55) CYP2D6NR2E1CYP1A2ADRB2ADRB1

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
WO-2024024490-A1 COMPOSITION FOR FORMING RESIST UNDERLAYER FILM 日産化学株式会社 2024-02-01 WO disclosed
WO-2023181960-A1 COMPOSITION FOR FORMING PROTECTIVE FILM 日産化学株式会社 2023-09-28 WO disclosed