SCHEMBL28253752

SCHEMBL28253752

[CH2]C(N)(CCC(=O)OCCCC)CCC(=O)OCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.48
HTR2C P28335 1/20 0.47
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
MAPK1 P28482 2/20 0.41
ATM Q13315 1/20 0.41
DNM1 Q05193 1/20 0.41
MAPT P10636 3/20 0.40
RECQL P46063 2/20 0.40
CYP1A2 P05177 1/20 0.40
THRB P10828 1/20 0.39
CNR1 P21554 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL28253773 0.93 HTR2C (0.57) DGKAHTR2CNAAATSHRPRSS1
SCHEMBL16126196 0.85 DGKA (0.52) DGKAHTR2CNAAAALDH1A1TSHR
SCHEMBL11677306 0.82 DGKA (0.48) DGKAHTR2CNAAAALDH1A1TSHR
SCHEMBL12591201 0.79 DGKA (0.53) DGKAHTR2CNAAAALDH1A1TSHR
SCHEMBL7393464 0.79 DGKA (0.46) DGKAHTR2CNAAAALDH1A1PRSS1
SCHEMBL5175437 0.79 DGKA (0.46) DGKAHTR2CNAAAALDH1A1TSHR
Dibutylsuccinate SCHEMBL3977806 0.78 DGKA (0.67) DGKAHTR2CNAAAALDH1A1TSHR
Dibutylsuccinate SCHEMBL50411 0.78 DGKA (0.67) DGKAHTR2CNAAAALDH1A1TSHR
SCHEMBL9961615 0.78 DGKA (0.52) DGKAHTR2CNAAAALDH1A1TSHR
SCHEMBL27842673 0.78 DGKA (0.52) DGKAHTR2CNAAAALDH1A1TSHR

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-108712911-A Antibody and its conjugate 科达制药股份有限公司 2018-10-26 CN disclosed