SCHEMBL28449671

SCHEMBL28449671

CCCCC(=O)OCCCCCCCCCCCCCCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.58
NAAA Q02083 1/20 0.53
HTR2C P28335 1/20 0.51
MAPT P10636 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
DNM1 Q05193 1/20 0.49
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 3/20 0.46
PLA2G2A P14555 2/20 0.45
NOD1 Q9Y239 1/20 0.45
FAAH O00519 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL28449418 1.00 DGKA (0.58) DGKANAAAHTR2CMAPTPRSS1
SCHEMBL28445533 1.00 DGKA (0.58) DGKANAAAHTR2CMAPTPRSS1
SCHEMBL28453005 1.00 DGKA (0.58) DGKANAAAHTR2CMAPTPRSS1
SCHEMBL11517482 1.00 DGKA (0.58) DGKANAAAHTR2CMAPTPRSS1
SCHEMBL1628803 1.00 DGKA (0.58) DGKANAAAHTR2CMAPTPRSS1
SCHEMBL3290958 1.00 DGKA (0.58) DGKANAAAHTR2CMAPTPRSS1
SCHEMBL28457617 1.00 DGKA (0.58) DGKANAAAHTR2CMAPTPRSS1
SCHEMBL28447068 1.00 DGKA (0.58) DGKANAAAHTR2CMAPTPRSS1
SCHEMBL28452433 1.00 DGKA (0.58) DGKANAAAHTR2CMAPTPRSS1
SCHEMBL18371525 0.98 DGKA (0.55) DGKANAAAHTR2CMAPTPRSS1

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-111647975-A Novel spandex oil agent and spandex obtained through treatment of novel spandex oil agent 烟台锐泽化学品有限公司 2020-09-11 CN disclosed