SCHEMBL21659487

SCHEMBL21659487

CCN1C(=O)C(C(=O)OCc2ccccc2)=C(C(=O)OCc2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
KMT2A Q03164 3/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
ALDH1A1 P00352 7/20 0.53
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 3/20 0.51
TSHR P16473 3/20 0.51
CYP3A4 P08684 1/20 0.51
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.50
MAPT P10636 3/20 0.49
HPGD P15428 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49

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
SCHEMBL17251633 0.93 TDP1 (0.49) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL21440854 0.81 TDP1 (0.58) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL21440761 0.81 TDP1 (0.53) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL9658266 0.80 TDP1 (0.66) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL21440858 0.80 TDP1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL24503567 0.76 ALDH1A1 (0.55) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL9627050 0.75 TDP1 (0.58) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
Benzyl Benzoate SCHEMBL252181 0.74 TDP1 (0.85) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL31500283 0.73 TDP1 (0.51) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL17969774 0.73 ALDH1A1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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-3143154-B1 CHEMICALLY-LOCKED BISPECIFIC ANTIBODIES SORRENTO THERAPEUTICS INC (US) 2020-01-29 EP disclosed