SCHEMBL27414523

SCHEMBL27414523

C#CCCCC(=O)NCCC(=O)NC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 1/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SELP P16109 1/20 0.36
FAAH O00519 4/20 0.36
LMNA P02545 1/20 0.35
CASP2 P42575 1/20 0.35
DNM1 Q05193 2/20 0.34
NAAA Q02083 1/20 0.33
CNR2 P34972 2/20 0.33
NAMPT P43490 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL3084079 0.89
SCHEMBL19835757 0.84 CYP1A2 (0.44) CYP1A2CYP2D6CYP3A4L3MBTL1EPHX2
SCHEMBL19786799 0.83 CYP1A2 (0.54) CYP1A2CYP2D6CYP3A4EPHX2MAPT
SCHEMBL10124145 0.81 L3MBTL1 (0.49) CYP1A2CYP2D6CYP3A4L3MBTL1EPHX2
SCHEMBL23236805 0.81 CYP1A2 (0.40) CYP1A2CYP2D6CYP3A4L3MBTL1EPHX2
SCHEMBL15268183 0.81 CYP1A2 (0.57) CYP1A2CYP2D6CYP3A4EPHX2MAPT
SCHEMBL29922517 0.81 CYP1A2 (0.57) CYP1A2CYP2D6CYP3A4EPHX2MAPT
SCHEMBL13193058 0.79 SELP (0.50) CYP1A2CYP2D6CYP3A4MAPTCYP2C9
SCHEMBL26616605 0.79 CYP1A2 (0.49) CYP1A2CYP2D6CYP3A4L3MBTL1EPHX2
SCHEMBL11887064 0.78 HDAC3 (0.46) CYP1A2CYP2D6CYP3A4L3MBTL1EPHX2

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
US-12018159-B2 Ultra bright dimeric or polymeric dyes and methods for preparation of the same Sony Group Corporation (JP) 2024-06-25 US disclosed