SCHEMBL11680752

SCHEMBL11680752

CCCCOC(=O)CCC(C)(/N=N/C(C)(C)C)OO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.41
HTR2C P28335 1/20 0.38
NAAA Q02083 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ALDH1A1 P00352 5/20 0.37
DNM1 Q05193 1/20 0.36
ATM Q13315 1/20 0.35
MAPK1 P28482 2/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL11680755 1.00 DGKA (0.41) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL11660517 0.88 DGKA (0.41) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL11660514 0.88 DGKA (0.41) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL11678707 0.82 DGKA (0.43) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL11678702 0.82 DGKA (0.43) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL11656606 0.81 DGKA (0.42) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL11656602 0.81 DGKA (0.42) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL11866333 0.80 DGKA (0.39) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL11866329 0.80 DGKA (0.39) DGKAHTR2CNAAAPRSS1PRSS2
SCHEMBL16573067 0.78 DGKA (0.48) DGKAHTR2CNAAAPRSS1PRSS2

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
US-4048423-A Process for polymerizing unsaturated monomers and unsaturated polyester resins employing unsymmetrical tertiary-aliphatic azoalkanes PENNWALT CORPORATION (US) 1977-09-13 US disclosed
US-4007165-A VINYL POLYMERIZATION INITIATORS POLYESTER CURING AGENTS PENNWALT CORPORATION (US) 1977-02-08 US disclosed