SCHEMBL26645944

SCHEMBL26645944

CCOC(Cc1cccnc1)OCC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.49
CHRNA4 P43681 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
FDPS P14324 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CHRNA7 P36544 2/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
TBXAS1 P24557 1/20 0.42
CYP2A6 P11509 1/20 0.42
NAPRT Q6XQN6 1/20 0.42

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
SCHEMBL31686137 1.00 CHRNB2 (0.49) CHRNB2CHRNA4TDP1FDPSL3MBTL1
SCHEMBL25062783 0.84 FDPS (0.49) CHRNB2CHRNA4TDP1FDPSL3MBTL1
SCHEMBL3920677 0.84 TDP1 (0.53) CHRNB2CHRNA4TDP1L3MBTL1ALDH1A1
SCHEMBL10045668 0.80 TDP1 (0.49) CHRNB2CHRNA4TDP1L3MBTL1ALDH1A1
SCHEMBL3590562 0.80 ALDH1A1 (0.60) TDP1ALDH1A1TP53POLBCYP1A2
SCHEMBL27662520 0.80 PKM (0.44) FDPSCYP1A2PKMKMT2ATBXAS1
SCHEMBL14459386 0.77 CHRNB2 (0.52) CHRNB2CHRNA4TDP1FDPSL3MBTL1
SCHEMBL103883 0.76 FDPS (0.55) CHRNB2CHRNA4TDP1FDPSL3MBTL1
SCHEMBL9668987 0.76 TDP1 (0.51) TDP1L3MBTL1CYP2D6CHRNA7TBXAS1
SCHEMBL113325 0.76 TAAR1 (0.48) L3MBTL1TP53CYP2D6CYP2A6

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
WO-2023205458-A2 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-26 WO disclosed