SCHEMBL28706268

SCHEMBL28706268

CCCCCCCCCCCCCCCC=COCCO

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.49
TRPV1 Q8NER1 3/20 0.49
MGLL Q99685 1/20 0.46
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
LPAR1 Q92633 1/20 0.44
LPAR2 Q9HBW0 1/20 0.44
LPAR3 Q9UBY5 1/20 0.44
CNR1 P21554 2/20 0.43
ALDH1A1 P00352 1/20 0.42
FAAH O00519 2/20 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
SCHEMBL3200153 1.00 CNR2 (0.49) CNR2TRPV1MGLLMEN1THRB
SCHEMBL13523581 1.00 CNR2 (0.49) CNR2TRPV1MGLLMEN1THRB
SCHEMBL27856031 1.00 CNR2 (0.49) CNR2TRPV1MGLLMEN1THRB
SCHEMBL27717933 1.00 CNR2 (0.49) CNR2TRPV1MGLLMEN1THRB
SCHEMBL4608017 1.00 CNR2 (0.49) CNR2TRPV1MGLLMEN1THRB
SCHEMBL28049483 0.98 CNR2 (0.47) CNR2TRPV1MGLLMEN1THRB
SCHEMBL9491967 0.98 MGLL (0.47) CNR2TRPV1MGLLMEN1THRB
SCHEMBL1195860 0.92 TSHR (0.43) CNR2TRPV1MGLLMEN1THRB
SCHEMBL7770458 0.90 LMNA (0.44) CNR2TRPV1MGLLMEN1KMT2A
SCHEMBL9491180 0.89 MEN1 (0.58) CNR2TRPV1MGLLMEN1THRB

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-114053429-A Antibody-drug conjugates and methods 健泰科生物技术公司 2022-02-18 CN disclosed