SCHEMBL23096896

SCHEMBL23096896

NC1=CC(c2ccco2)CCC=C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 10/20 0.39
CHRM3 P20309 10/20 0.39
CHRM1 P11229 9/20 0.39
CHRM2 P08172 9/20 0.39
CHRM4 P08173 9/20 0.39
NOS2 P35228 3/20 0.37
NOS3 P29474 2/20 0.37
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL24612947 0.83 MAPT (0.39) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL13716805 0.67 MAPT (0.35) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL6940138 0.64
SCHEMBL26802396 0.63 TDP1 (0.39) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL28905801 0.62 CHRM5 (0.43) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL21402172 0.62
SCHEMBL14865235 0.61
SCHEMBL6755485 0.61 CHRM5 (0.43) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL28895518 0.60 CHRM5 (0.44) CHRM5CHRM3CHRM1CHRM2CHRM4
SCHEMBL8726534 0.60 TDP1 (0.50) CHRM5CHRM3CHRM1CHRM2CHRM4

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
EP-3792270-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2021-03-17 EP disclosed