SCHEMBL28625630

SCHEMBL28625630

CC1(C)OB(c2ccc3ccc(-c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4)nc3c2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.45
LIPG Q9Y5X9 6/20 0.45
DGAT1 O75907 1/20 0.39
CCR1 P32246 2/20 0.36
CCR5 P51681 2/20 0.36
CCR8 P51685 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
NFKB1 P19838 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP2 P08253 1/20 0.36
MAPT P10636 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 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
SCHEMBL28631577 0.93 LIPG (0.41) LPLLIPGDGAT1CCR1CCR5
SCHEMBL9960413 0.91 LIPG (0.51) LPLLIPGDGAT1CCR1CCR5
SCHEMBL28612737 0.90 LPL (0.40) LPLLIPGDGAT1CCR1CCR5
SCHEMBL28625646 0.88 LPL (0.41) LPLLIPGDGAT1CCR1CCR5
SCHEMBL18943899 0.86 LPL (0.41) LPLLIPGDGAT1CCR1CCR5
SCHEMBL18943265 0.86 LPL (0.40) LPLLIPGDGAT1CCR1CCR5
SCHEMBL17782988 0.85 LPL (0.42) LPLLIPGDGAT1CCR1CCR5
SCHEMBL402661 0.82 LPL (0.44) LPLLIPGDGAT1CYP3A4HSP90AA1
SCHEMBL398811 0.81 LIPG (0.55) LPLLIPGDGAT1KDM4ECYP3A4
SCHEMBL23016425 0.81 LPL (0.40) LPLLIPGDGAT1CCR1CCR8

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-113330010-A Composition, organic photodiode, and display device LT素材株式会社 2021-08-31 CN disclosed