SCHEMBL11601599

SCHEMBL11601599

O=C(CCCCCCCC(=O)OCCBr)OCCBr

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.58
DNM1 Q05193 1/20 0.47
PAM P19021 2/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
LMNA P02545 2/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.37
DUSP3 P51452 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2C P28335 1/20 0.37
NAAA Q02083 1/20 0.37

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
SCHEMBL11598259 1.00 DGKA (0.58) DGKADNM1PAMPRSS1PRSS2
SCHEMBL11599095 0.97 DGKA (0.54) DGKADNM1PAMPRSS1PRSS2
SCHEMBL11599018 0.92 DGKA (0.48) DGKADNM1PAMPRSS1PRSS2
SCHEMBL31721561 0.90 DGKA (0.64) DGKADNM1PAMPRSS1PRSS2
SCHEMBL11599108 0.90 DGKA (0.58) DGKADNM1PAMPRSS1PRSS2
SCHEMBL1693910 0.90 DGKA (0.64) DGKADNM1PAMPRSS1PRSS2
SCHEMBL2258536 0.89 DGKA (0.77) DGKADNM1PAMPRSS1PRSS2
SCHEMBL11791762 0.89 DGKA (0.77) DGKADNM1PAMPRSS1PRSS2
SCHEMBL2255829 0.89 DGKA (0.77) DGKADNM1PAMPRSS1PRSS2
SCHEMBL8446365 0.89 DGKA (0.77) DGKADNM1PAMPRSS1PRSS2

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
US-4104233-A VINYL HALIDE POLYMERS, SMOKE AND FIRE RETARDANTS MONSANTO COMPANY (US) 1978-08-01 US disclosed