SCHEMBL22814743

SCHEMBL22814743

CCCCC(=O)OCCC(C)(C)OC(=O)CCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.53
DNM1 Q05193 1/20 0.45
PAM P19021 2/20 0.41
NAAA Q02083 1/20 0.40
HTR2C P28335 1/20 0.40
MGLL Q99685 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
CNR1 P21554 1/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 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
SCHEMBL28496017 0.86 DGKA (0.53) DGKADNM1PAMNAAAHTR2C
SCHEMBL17882128 0.84 DGKA (0.47) DGKADNM1NAAAHTR2CPRSS1
SCHEMBL8334997 0.83 DGKA (0.59) DGKADNM1PAMNAAAHTR2C
SCHEMBL21028683 0.81 DGKA (0.49) DGKADNM1PAMHTR2CMGLL
SCHEMBL18799241 0.80 DGKA (0.55) DGKADNM1PAMNAAAHTR2C
SCHEMBL21008258 0.80 DGKA (0.40) DGKADNM1PAMNAAAHTR2C
SCHEMBL11820606 0.79 PAM (0.48) DGKADNM1PAMNAAAMAPT
SCHEMBL28406124 0.79 DGKA (0.48) DGKADNM1PAMNAAAMAPT
SCHEMBL29258497 0.79 DGKA (0.65) DGKADNM1PAMNAAAHTR2C
SCHEMBL21007664 0.79 DGKA (0.35) DGKADNM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020254617-A1 ANTI-CTLA4 COMPOUNDS WITH LOCALIZED PK PROPERTIES Ascendis Pharma Oncology Division A/S (DK) 2020-12-24 WO disclosed
WO-2020254607-A1 ANTI-CTLA4 COMPOUNDS WITH LOCALIZED PD PROPERTIES Ascendis Pharma Oncology Division A/S (DK) 2020-12-24 WO disclosed