SCHEMBL25100809

SCHEMBL25100809

CCN(C)C[C@H](O)c1ccc(O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 9/20 0.53
MAPT P10636 8/20 0.53
KDM4E B2RXH2 8/20 0.53
ADRB2 P07550 7/20 0.53
ADRB1 P08588 5/20 0.53
MAPK1 P28482 5/20 0.53
BLM P54132 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ADRB3 P13945 4/20 0.53
APEX1 P27695 3/20 0.53
RECQL P46063 3/20 0.53
HPGD P15428 3/20 0.53
ADORA3 P0DMS8 3/20 0.53
DRD2 P14416 3/20 0.53
ADRA1D P25100 3/20 0.53
ADRA1A P35348 3/20 0.53
ADRA1B P35368 3/20 0.53
CYP3A4 P08684 3/20 0.53
ADRA2A P08913 2/20 0.53

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
SCHEMBL31392613 0.84 RAD52 (0.60) TDP1MAPTKDM4EADRB2ADRB1
SCHEMBL521779 0.84 MAPT (0.58) TDP1MAPTKDM4EADRB2ADRB1
SCHEMBL521780 0.84 MAPT (0.58) TDP1MAPTKDM4EADRB2ADRB1
SCHEMBL25100812 0.83 TSHR (0.63) BLMCYP3A4TSHRCYP1A2PMP22
SCHEMBL17053665 0.82 MAPT (0.56) TDP1MAPTKDM4EADRB2ADRB1
SCHEMBL7542267 0.80 KDM4E (0.56) TDP1MAPTKDM4EADRB2ADRB1
SCHEMBL28126607 0.80 KDM4E (0.56) TDP1MAPTKDM4EADRB2ADRB1
SCHEMBL31419995 0.80 KDM4E (0.56) TDP1MAPTKDM4EADRB2ADRB1
SCHEMBL22971597 0.79 MAPT (0.54) TDP1MAPTKDM4EADRB2ADRB1
SCHEMBL9722026 0.78 HIF1A (0.55) KDM4EADRB2ADRB1BLMMEN1

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-2023028350-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) 2023-03-02 WO disclosed